A0A077ZA93_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZA93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	28.8	Very low	245 Å²	245	144.1 Å²	144.1	100%	1.207	78%	0.783	S	S	*	*				0	123.6	0	-71.8	170	169.8	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.04Å
2	K	26.4	Very low	28.7	Very low	212 Å²	212	135.6 Å²	135.6	92%	0.922	75%	0.754	S	S	*	*			trans	-71.7	115.3	172.4	-82.1	178.7	175.1	178.7	0	107.1	E4	K2-E4 PolarHBondContact O-N 3.24Å
3	S	25.6	Very low	28.7	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-64.6	122.2	169.5	34	0	0	0	0	108.2	M1	M1-S3 PolarHBondContact O-N 3.04Å
4	E	26.3	Very low	28.9	Very low	181 Å²	181	138.6 Å²	138.6	85%	0.846	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.3	139	168.3	-80.7	-177.5	147	0	0	109.2	K2	K2-E4 PolarHBondContact O-N 3.24Å
5	P	28.9	Very low	28.7	Very low	109 Å²	109	134.8 Å²	134.8	71%	0.708	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-61.9	146	176.6	25.8	-31.9	0	0	0	109.7	A7	P5-A7 PolarHBondContact O-N 2.74Å
6	P	33.1	Very low	28.5	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-54.6	135.5	179.3	22.5	-32.2	0	0	0	110.1	R8	P6-R8 PolarHBondContact O-N 2.91Å; P6-R8 VanDerWaalsContact O-N 3.1Å
7	A	27.4	Very low	28.3	Very low	71 Å²	71	134.4 Å²	134.4	59%	0.587	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-52.7	118.7	-178.3	0	0	0	0	0	109.9	P5 C9	P5-A7 PolarHBondContact O-N 2.74Å; A7-C9 PolarHBondContact O-N 3.28Å
8	R	27.3	Very low	28.1	Very low	242 Å²	242	139.6 Å²	139.6	91%	0.913	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-62.9	131.6	174.8	-75	-177.3	173.7	-167.7	-2.5	108.8	P6	P6-R8 PolarHBondContact O-N 2.91Å; P6-R8 VanDerWaalsContact O-N 3.1Å
9	C	29.1	Very low	27.9	Very low	50 Å²	50	134.4 Å²	134.4	34%	0.338	72%	0.724	S	S	.	*	P	Polyproline II helix	trans	-55.5	129.1	170	-59.3	0	0	0	0	110.1	A7 T11 C151	A7-C9 PolarHBondContact O-N 3.28Å; C9-T11 PolarHBondContact O-N 3.47Å; C9-C151 WeakPolarHBondContact CA-SG 3.44Å; C9-C151 HydrophobicContact CB-CB 4.36Å; C9-C151 WeakPolarHBondContact CB-SG 3.3Å; C9-C151 WeakPolarHBondContact SG-CB 3.45Å; C9-C151 CovalentContact SG-SG 1.98Å; C9-C151 PolarHBondContact SG-SG 2.9Å
10	P	29.9	Very low	27.8	Very low	101 Å²	101	131.2 Å²	131.2	66%	0.656	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-59.7	129.4	164.7	25	-30.1	0	0	0	107.9	G12	P10-G12 VanDerWaalsContact C-N 3.33Å; P10-G12 PolarHBondContact O-N 3.33Å
11	T	32.8	Very low	27.6	Very low	143 Å²	143	134.8 Å²	134.8	88%	0.877	71%	0.709	S	S	*	*			trans	-64.7	96.5	170.2	32.9	0	0	0	0	108.1	C9	C9-T11 PolarHBondContact O-N 3.47Å
12	G	28.4	Very low	27.3	Very low	42 Å²	42	127.2 Å²	127.2	43%	0.433	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-65.4	158	166.4	0	0	0	0	0	110.8	P10 Q14	P10-G12 VanDerWaalsContact C-N 3.33Å; P10-G12 PolarHBondContact O-N 3.33Å; G12-Q14 PolarHBondContact O-N 3.36Å
13	P	28.9	Very low	27.4	Very low	122 Å²	122	120.9 Å²	120.9	79%	0.792	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-55.1	128.4	175.3	21	-30.4	0	0	0	110.8	L15	P13-L15 PolarHBondContact O-N 3Å
14	Q	30.4	Very low	27.5	Very low	191 Å²	191	122.9 Å²	122.9	89%	0.893	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-65.6	123.4	175.8	-73.8	-177.3	-16.7	0	0	109.6	G12	G12-Q14 PolarHBondContact O-N 3.36Å
15	L	25.9	Very low	27.4	Very low	82 Å²	82	121.9 Å²	121.9	43%	0.429	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-65.4	126.4	169.5	-90.9	158.4	0	0	0	109.3	P13 M17 L164	P13-L15 PolarHBondContact O-N 3Å; L15-M17 PolarHBondContact O-N 3.46Å; L15-L164 HydrophobicContact CD1-CD2 4.2Å
16	P	25.2	Very low	27.1	Very low	94 Å²	94	119.6 Å²	119.6	61%	0.61	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-64.1	126.2	175.1	23.5	-30.4	0	0	0	110	R18 S19	P16-R18 PolarHBondContact O-N 3.06Å; P16-S19 PolarHBondContact O-N 3.47Å; P16-S19 PolarHBondContact O-OG 3.38Å
17	M	25.4	Very low	26.7	Very low	168 Å²	168	116.8 Å²	116.8	83%	0.828	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-46.6	-22.5	-178.1	-94	-172.6	-74.2	0	0	115.3	L15 S19 L20	L15-M17 PolarHBondContact O-N 3.46Å; M17-S19 VanDerWaalsContact C-N 3.3Å; M17-S19 PolarHBondContact O-N 3.4Å; M17-L20 PolarHBondContact O-N 3.47Å
18	R	24.3	Very low	26.5	Very low	229 Å²	229	118.9 Å²	118.9	86%	0.864	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-68	-24.8	178.8	-75.6	-174.7	174.1	-175	-1.6	113.9	P16 L20	P16-R18 PolarHBondContact O-N 3.06Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.19Å
19	S	25	Very low	26.6	Very low	41 Å²	41	111.5 Å²	111.5	29%	0.287	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-74.1	-16.3	177.1	59.5	0	0	0	0	113.8	P16 M17 S22	P16-S19 PolarHBondContact O-N 3.47Å; P16-S19 PolarHBondContact O-OG 3.38Å; M17-S19 VanDerWaalsContact C-N 3.3Å; M17-S19 PolarHBondContact O-N 3.4Å; S19-S22 PolarHBondContact O-OG 2.76Å
20	L	26.2	Very low	26.7	Very low	69 Å²	69	114 Å²	114	36%	0.361	63%	0.629	S	S	.	*	H	α-helix	trans	-78.4	-22.7	178.5	-80.8	158.2	0	0	0	113.3	M17 R18	M17-L20 PolarHBondContact O-N 3.47Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.19Å
21	R	23.7	Very low	26.6	Very low	208 Å²	208	113.4 Å²	113.4	79%	0.785	62%	0.623	S	S	*	*	H	α-helix	trans	-73.8	-31.1	178.9	-93.3	-175.3	175.9	-175.2	-0.7	113.4
22	S	24	Very low	26.4	Very low	85 Å²	85	112.8 Å²	112.8	59%	0.594	61%	0.614	S	S	*	*	H	α-helix	trans	-78.2	-26.9	-179.2	26.9	0	0	0	0	113.4	S19 W24	S19-S22 PolarHBondContact O-OG 2.76Å; S22-W24 VanDerWaalsContact C-N 3.25Å; S22-W24 PolarHBondContact O-N 3.06Å
23	I	27.7	Very low	26.5	Very low	79 Å²	79	112.5 Å²	112.5	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-73.1	-20	175.7	-62.5	170.3	0	0	0	111.6
24	W	28.3	Very low	26.5	Very low	157 Å²	157	111.7 Å²	111.7	60%	0.595	59%	0.592	S	S	*	*	H	α-helix	trans	-111.2	-13.5	-164.8	-81.3	77.4	0	0	0	116.4	S22 L99	S22-W24 VanDerWaalsContact C-N 3.25Å; S22-W24 PolarHBondContact O-N 3.06Å; W24-L99 HydrophobicContact CH2-CD1 4.15Å; W24-L99 HydrophobicContact CZ3-CD1 3.69Å
25	L	24.2	Very low	26.5	Very low	160 Å²	160	105.1 Å²	105.1	84%	0.838	57%	0.568	S	S	*	*	H	α-helix	trans	-128.5	3.5	-174.5	-73.8	168.6	0	0	0	115.5
26	G	22.6	Very low	26.6	Very low	62 Å²	62	106.2 Å²	106.2	64%	0.639	57%	0.571	S	S	*	*	S	Bend	trans	-155.8	5.8	-178.6	0	0	0	0	0	116.6	P28	G26-P28 WeakPolarHBondContact O-CD 3.43Å
27	A	25	Very low	26.9	Very low	56 Å²	56	103.8 Å²	103.8	46%	0.463	55%	0.552	S	S	.	*			trans	-76.9	110.3	179.3	0	0	0	0	0	110.7
28	P	23.1	Very low	27	Very low	116 Å²	116	96.1 Å²	96.1	75%	0.753	52%	0.515	S	S	*	.	S	Bend	trans	-63.5	151.8	155	22.9	-9.8	0	0	0	107.6	G26	G26-P28 WeakPolarHBondContact O-CD 3.43Å
29	P	29.5	Very low	27.2	Very low	86 Å²	86	87.6 Å²	87.6	56%	0.558	50%	0.499	S	S	*	.				-78.2	144.8	-105.8	33.4	-34.8	0	0	0	112.1	V31	P29-V31 HydrophobicContact CB-CB 3.72Å; P29-V31 HydrophobicContact CB-CG2 3.44Å; P29-V31 VanDerWaalsContact CB-CG2 3.44Å; P29-V31 HydrophobicContact CG-CB 3.69Å; P29-V31 HydrophobicContact CG-CG2 3.81Å; P29-V31 PolarHBondContact O-N 3.21Å
30	L	30.1	Very low	27.5	Very low	104 Å²	104	88.4 Å²	88.4	55%	0.545	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	9	152.4	-90.8	163.8	0	0	0	114.5	D32 G33 W34	L30-D32 PolarHBondContact O-N 2.92Å; L30-G33 PolarHBondContact O-N 3.44Å; L30-W34 HydrophobicContact CB-CG 4.48Å; L30-W34 VanDerWaalsContact O-CB 3.27Å; L30-W34 WeakPolarHBondContact O-CB 3.42Å; L30-W34 VanDerWaalsContact O-CG 3.23Å; L30-W34 PolarHBondContact O-N 3.08Å
31	V	28.4	Very low	28	Very low	88 Å²	88	91 Å²	91	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-27.8	178.7	164.1	0	0	0	0	112	P29 S35	P29-V31 HydrophobicContact CB-CB 3.72Å; P29-V31 HydrophobicContact CB-CG2 3.44Å; P29-V31 VanDerWaalsContact CB-CG2 3.44Å; P29-V31 HydrophobicContact CG-CB 3.69Å; P29-V31 HydrophobicContact CG-CG2 3.81Å; P29-V31 PolarHBondContact O-N 3.21Å; V31-S35 PolarHBondContact O-N 3.28Å; V31-S35 PolarHBondContact O-OG 3.34Å
32	D	28.9	Very low	28.5	Very low	130 Å²	130	87.2 Å²	87.2	70%	0.695	49%	0.494	S	S	*	.	H	α-helix	trans	-81.5	-37.7	179.5	-76.8	-17.9	0	0	0	114.1	L30 W34 S35 H36	L30-D32 PolarHBondContact O-N 2.92Å; D32-W34 VanDerWaalsContact C-N 3.35Å; D32-S35 WeakPolarHBondContact CA-OG 3.18Å; D32-S35 PolarHBondContact O-OG 3.43Å; D32-H36 PolarHBondContact O-CD2 2.74Å
33	G	28.8	Very low	29.1	Very low	36 Å²	36	89.7 Å²	89.7	37%	0.371	51%	0.508	S	S	.	.	H	α-helix	trans	-73.7	-25.8	172.6	0	0	0	0	0	113.3	L30 H36	L30-G33 PolarHBondContact O-N 3.44Å; G33-H36 PolarHBondContact O-N 3.1Å
34	W	30.7	Very low	29.7	Very low	104 Å²	104	89.7 Å²	89.7	39%	0.394	52%	0.515	S	S	.	.	H	α-helix	trans	-81.3	-24.2	-179.9	-74.7	49.9	0	0	0	113	L30 D32 H36 A38 V48	L30-W34 HydrophobicContact CB-CG 4.48Å; L30-W34 VanDerWaalsContact O-CB 3.27Å; L30-W34 WeakPolarHBondContact O-CB 3.42Å; L30-W34 VanDerWaalsContact O-CG 3.23Å; L30-W34 PolarHBondContact O-N 3.08Å; D32-W34 VanDerWaalsContact C-N 3.35Å; W34-H36 PolarHBondContact O-N 3.22Å; W34-A38 PolarHBondContact O-N 3.05Å; W34-V48 HydrophobicContact CB-CG1 3.99Å; W34-V48 HydrophobicContact CE3-CG1 4.43Å
35	S	29.5	Very low	30.2	Very low	54 Å²	54	83.9 Å²	83.9	38%	0.378	49%	0.493	S	S	.	.	H	α-helix	trans	-61	-28.1	165.7	14.4	0	0	0	0	112.9	V31 D32 A38	V31-S35 PolarHBondContact O-N 3.28Å; V31-S35 PolarHBondContact O-OG 3.34Å; D32-S35 WeakPolarHBondContact CA-OG 3.18Å; D32-S35 PolarHBondContact O-OG 3.43Å; S35-A38 VanDerWaalsContact O-CB 3.27Å; S35-A38 WeakPolarHBondContact O-CB 3.33Å; S35-A38 PolarHBondContact O-N 3.2Å
36	H	28.6	Very low	31	Very low	105 Å²	105	84.2 Å²	84.2	49%	0.486	49%	0.488	S	S	.	.	H	α-helix	trans	-78	-43.4	-178.7	-82.4	-113.5	0	0	0	111.6	D32 G33 W34 A38 G39 I134	D32-H36 PolarHBondContact O-CD2 2.74Å; G33-H36 PolarHBondContact O-N 3.1Å; W34-H36 PolarHBondContact O-N 3.22Å; H36-A38 PolarHBondContact O-N 2.8Å; H36-G39 PolarHBondContact O-N 3.04Å; H36-I134 WeakPolarHBondContact O-CD1 3.27Å; H36-I134 WeakPolarHBondContact O-CG1 3.39Å
37	I	29.9	Very low	31.8	Very low	43 Å²	43	84.1 Å²	84.1	22%	0.221	48%	0.475	C	S	.	.	H	α-helix	trans	-61.3	-19.8	173.3	-57	174.7	0	0	0	111.9	G39 C40 W51	I37-G39 PolarHBondContact O-N 3.28Å; I37-C40 PolarHBondContact O-N 3.14Å; I37-W51 HydrophobicContact CG2-CH2 4.33Å; I37-W51 HydrophobicContact CG2-CZ3 4.42Å
38	A	28.1	Very low	32.2	Very low	7 Å²	7	83.2 Å²	83.2	6%	0.058	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-68.6	4.7	175.5	0	0	0	0	0	115.4	W34 S35 H36 C40 R41 V48 W51	W34-A38 PolarHBondContact O-N 3.05Å; S35-A38 VanDerWaalsContact O-CB 3.27Å; S35-A38 WeakPolarHBondContact O-CB 3.33Å; S35-A38 PolarHBondContact O-N 3.2Å; H36-A38 PolarHBondContact O-N 2.8Å; A38-C40 PolarHBondContact O-N 3.23Å; A38-R41 HydrophobicContact CB-CG 4.39Å; A38-R41 WeakPolarHBondContact O-CD 3.12Å; A38-R41 WeakPolarHBondContact O-CG 3.41Å; A38-R41 PolarHBondContact O-N 3.46Å; A38-R41 PolarHBondContact O-NE 3.48Å; A38-V48 HydrophobicContact CB-CG2 4.16Å; A38-W51 HydrophobicContact CB-CZ2 4.26Å
39	G	29.7	Very low	32.8	Very low	50 Å²	50	81.9 Å²	81.9	52%	0.515	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-70.6	-12.9	167.5	0	0	0	0	0	114.4	H36 I37 I134	H36-G39 PolarHBondContact O-N 3.04Å; I37-G39 PolarHBondContact O-N 3.28Å; G39-I134 VanDerWaalsContact CA-CD1 3.5Å
40	C	30.9	Very low	33.2	Very low	57 Å²	57	80.5 Å²	80.5	39%	0.385	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-106.2	38	172.3	-72.5	0	0	0	0	112.3	I37 A38 R42 C130	I37-C40 PolarHBondContact O-N 3.14Å; A38-C40 PolarHBondContact O-N 3.23Å; C40-R42 PolarHBondContact O-N 3.44Å; C40-C130 VanDerWaalsContact SG-SG 3.68Å
41	R	35.9	Very low	33.6	Very low	125 Å²	125	76.3 Å²	76.3	47%	0.472	42%	0.42	S	S	.	.			trans	-54.5	133.5	175.9	-86.2	162.9	-163.2	-134.6	6.2	111.4	A38 K46	A38-R41 HydrophobicContact CB-CG 4.39Å; A38-R41 WeakPolarHBondContact O-CD 3.12Å; A38-R41 WeakPolarHBondContact O-CG 3.41Å; A38-R41 PolarHBondContact O-N 3.46Å; A38-R41 PolarHBondContact O-NE 3.48Å; R41-K46 PolarHBondContact NH1-O 2.86Å
42	R	34.8	Very low	33.9	Very low	128 Å²	128	74 Å²	74	48%	0.483	41%	0.407	S	S	.	.			trans	-65.5	130.7	150.1	-96.8	-166.7	174	-154.3	2.5	107.3	C40 S44 W45 E86	C40-R42 PolarHBondContact O-N 3.44Å; R42-S44 PolarHBondContact O-N 3.03Å; R42-W45 PolarHBondContact O-N 3.38Å; R42-W45 VanDerWaalsContact O-N 3.08Å; R42-E86 IonicContact CZ-OE1 3.69Å; R42-E86 IonicContact NE-OE1 3.91Å; R42-E86 IonicContact NH2-OE1 2.85Å; R42-E86 PolarHBondContact NH2-OE1 3.39Å
43	P	36.1	Very low	34.2	Very low	136 Å²	136	72.2 Å²	72.2	88%	0.883	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-22	-171.4	-28	33.3	0	0	0	116	W45	P43-W45 VanDerWaalsContact C-N 3.35Å
44	S	39.7	Very low	34.5	Very low	80 Å²	80	74.7 Å²	74.7	56%	0.559	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.2	-177.7	56.8	0	0	0	0	114.8	R42	R42-S44 PolarHBondContact O-N 3.03Å
45	W	40.6	Very low	34.7	Very low	34 Å²	34	71.4 Å²	71.4	13%	0.129	39%	0.392	C	S	.	.			trans	-106.9	110.7	-176.8	-60.4	-1.8	0	0	0	109.5	R42 P43 W51 Y85 L89	R42-W45 PolarHBondContact O-N 3.38Å; R42-W45 VanDerWaalsContact O-N 3.08Å; P43-W45 VanDerWaalsContact C-N 3.35Å; W45-W51 AromaticContact CE3-CD1 3.79Å; W45-W51 HydrophobicContact CE3-CG 4.25Å; W45-W51 AromaticContact CE3-NE1 3.78Å; W45-W51 HydrophobicContact CZ3-CG 4.41Å; W45-Y85 HydrophobicContact CH2-CE1 4.48Å; W45-Y85 HydrophobicContact CZ3-CE1 4.31Å; W45-Y85 WeakPolarHBondContact CZ3-OH 3.42Å; W45-L89 HydrophobicContact CH2-CD2 4.24Å
46	K	40.6	Very low	34.8	Very low	167 Å²	167	73.9 Å²	73.9	73%	0.726	40%	0.4	S	S	*	.			trans	-84.9	-30.6	-170.8	-68.8	-172.9	179	-177.5	0	111.7	R41 E50	R41-K46 PolarHBondContact NH1-O 2.86Å; K46-E50 PolarHBondContact N-OE2 3.44Å
47	T	39.1	Very low	35	Very low	61 Å²	61	71.8 Å²	71.8	37%	0.374	40%	0.398	S	S	.	.			trans	-136.3	153.8	-176.2	66	0	0	0	0	113.4	S49 E50	T47-S49 VanDerWaalsContact C-N 3.28Å; T47-S49 PolarHBondContact O-N 3.17Å; T47-S49 PolarHBondContact OG1-OG 3.41Å; T47-E50 PolarHBondContact N-OE2 2.79Å; T47-E50 WeakPolarHBondContact O-CB 3.27Å; T47-E50 PolarHBondContact O-N 3.49Å; T47-E50 WeakPolarHBondContact OG1-CG 3.28Å
48	V	33.5	Very low	35.2	Very low	36 Å²	36	74.1 Å²	74.1	22%	0.218	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.4	178.3	177.9	0	0	0	0	111.4	W34 A38 E50 W51	W34-V48 HydrophobicContact CB-CG1 3.99Å; W34-V48 HydrophobicContact CE3-CG1 4.43Å; A38-V48 HydrophobicContact CB-CG2 4.16Å; V48-E50 PolarHBondContact O-N 2.91Å; V48-W51 VanDerWaalsContact O-CB 3.28Å; V48-W51 WeakPolarHBondContact O-CB 3.06Å; V48-W51 PolarHBondContact O-N 3.46Å
49	S	35.6	Very low	35.3	Very low	89 Å²	89	79.3 Å²	79.3	62%	0.622	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.1	173.2	43.5	0	0	0	0	113.9	T47 W51 T53	T47-S49 VanDerWaalsContact C-N 3.28Å; T47-S49 PolarHBondContact O-N 3.17Å; T47-S49 PolarHBondContact OG1-OG 3.41Å; S49-W51 VanDerWaalsContact C-N 3.25Å; S49-W51 PolarHBondContact O-N 3.41Å; S49-T53 PolarHBondContact O-OG1 3.42Å
50	E	37.7	Very low	35.4	Very low	56 Å²	56	80.6 Å²	80.6	26%	0.262	46%	0.455	S	S	.	.	H	α-helix	trans	-75.1	-15.9	172.5	-71.5	169	153.7	0	0	112.3	K46 T47 V48 K54	K46-E50 PolarHBondContact N-OE2 3.44Å; T47-E50 PolarHBondContact N-OE2 2.79Å; T47-E50 WeakPolarHBondContact O-CB 3.27Å; T47-E50 PolarHBondContact O-N 3.49Å; T47-E50 WeakPolarHBondContact OG1-CG 3.28Å; V48-E50 PolarHBondContact O-N 2.91Å; E50-K54 VanDerWaalsContact O-CB 3.23Å; E50-K54 WeakPolarHBondContact O-CB 3.06Å; E50-K54 WeakPolarHBondContact O-CG 3.48Å; E50-K54 PolarHBondContact O-N 2.84Å
51	W	37.8	Very low	35.7	Very low	16 Å²	16	78.9 Å²	78.9	6%	0.061	45%	0.445	C	S	.	.	H	α-helix	trans	-67.3	-53.3	-172	-70.7	27.3	0	0	0	112.6	I37 A38 W45 V48 S49 T53 K54 L55 Y85	I37-W51 HydrophobicContact CG2-CH2 4.33Å; I37-W51 HydrophobicContact CG2-CZ3 4.42Å; A38-W51 HydrophobicContact CB-CZ2 4.26Å; W45-W51 AromaticContact CE3-CD1 3.79Å; W45-W51 HydrophobicContact CE3-CG 4.25Å; W45-W51 AromaticContact CE3-NE1 3.78Å; W45-W51 HydrophobicContact CZ3-CG 4.41Å; V48-W51 VanDerWaalsContact O-CB 3.28Å; V48-W51 WeakPolarHBondContact O-CB 3.06Å; V48-W51 PolarHBondContact O-N 3.46Å; S49-W51 VanDerWaalsContact C-N 3.25Å; S49-W51 PolarHBondContact O-N 3.41Å; W51-T53 VanDerWaalsContact C-N 3.3Å; W51-T53 PolarHBondContact O-N 3.45Å; W51-K54 PolarHBondContact O-N 3.44Å; W51-L55 HydrophobicContact CB-CD1 4.47Å; W51-L55 WeakPolarHBondContact O-CB 2.85Å; W51-L55 VanDerWaalsContact O-CD1 3.25Å; W51-L55 WeakPolarHBondContact O-CD1 3.25Å; W51-L55 WeakPolarHBondContact O-CG 3.32Å; W51-L55 PolarHBondContact O-N 3.02Å; W51-Y85 HydrophobicContact CH2-CE2 4.4Å
52	P	35	Very low	36.2	Very low	40 Å²	40	77.9 Å²	77.9	26%	0.26	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-41.4	-180	-16.1	30.8	0	0	0	110.5	L55 L56	P52-L55 PolarHBondContact O-N 3.14Å; P52-L56 WeakPolarHBondContact O-CB 3.08Å; P52-L56 WeakPolarHBondContact O-CD1 3.23Å; P52-L56 WeakPolarHBondContact O-CG 3.39Å; P52-L56 PolarHBondContact O-N 2.66Å
53	T	35.4	Very low	36.4	Very low	93 Å²	93	79.8 Å²	79.8	57%	0.571	46%	0.463	S	S	*	.	H	α-helix	trans	-68.9	-38.9	-177.6	-34	0	0	0	0	111.5	S49 W51 L56 S57	S49-T53 PolarHBondContact O-OG1 3.42Å; W51-T53 VanDerWaalsContact C-N 3.3Å; W51-T53 PolarHBondContact O-N 3.45Å; T53-L56 CarbonylContact O-C 3.57Å; T53-L56 PolarHBondContact O-N 3.2Å; T53-S57 VanDerWaalsContact O-CA 3.32Å; T53-S57 WeakPolarHBondContact O-CA 3.14Å; T53-S57 WeakPolarHBondContact O-CB 3.11Å; T53-S57 PolarHBondContact O-N 3.01Å; T53-S57 PolarHBondContact O-OG 2.9Å
54	K	34.7	Very low	36.7	Very low	88 Å²	88	78.6 Å²	78.6	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-81.9	-22.7	175.5	-67.8	-153.3	178.6	-174.1	0	114.2	E50 W51 L56 S57	E50-K54 VanDerWaalsContact O-CB 3.23Å; E50-K54 WeakPolarHBondContact O-CB 3.06Å; E50-K54 WeakPolarHBondContact O-CG 3.48Å; E50-K54 PolarHBondContact O-N 2.84Å; W51-K54 PolarHBondContact O-N 3.44Å; K54-L56 VanDerWaalsContact C-N 3.3Å; K54-S57 WeakPolarHBondContact CA-OG 3.38Å
55	L	35.7	Very low	36.7	Very low	34 Å²	34	80.3 Å²	80.3	18%	0.178	44%	0.44	C	S	.	.	H	α-helix	trans	-69.8	-29.2	167	-82.8	162.6	0	0	0	112.7	W51 P52 F58 L89 V93	W51-L55 HydrophobicContact CB-CD1 4.47Å; W51-L55 WeakPolarHBondContact O-CB 2.85Å; W51-L55 VanDerWaalsContact O-CD1 3.25Å; W51-L55 WeakPolarHBondContact O-CD1 3.25Å; W51-L55 WeakPolarHBondContact O-CG 3.32Å; W51-L55 PolarHBondContact O-N 3.02Å; P52-L55 PolarHBondContact O-N 3.14Å; L55-F58 WeakPolarHBondContact O-CD2 3.45Å; L55-L89 HydrophobicContact CD1-CD1 3.79Å; L55-L89 HydrophobicContact CD1-CG 4.32Å; L55-L89 HydrophobicContact CD2-CD1 3.82Å; L55-L89 HydrophobicContact CD2-CD2 3.57Å; L55-L89 HydrophobicContact CD2-CG 3.4Å; L55-L89 HydrophobicContact CG-CD1 4.25Å; L55-L89 HydrophobicContact CG-CG 4.34Å; L55-V93 HydrophobicContact CB-CG2 4.16Å; L55-V93 HydrophobicContact CD1-CG2 4.25Å; L55-V93 HydrophobicContact CD2-CG2 3.37Å; L55-V93 HydrophobicContact CG-CG2 4.15Å
56	L	31	Very low	37	Very low	106 Å²	106	82.7 Å²	82.7	56%	0.555	46%	0.456	S	S	*	.	H	α-helix	trans	-105.9	-17.7	-177.9	-63.8	168.5	0	0	0	112.7	P52 T53 K54 F58	P52-L56 WeakPolarHBondContact O-CB 3.08Å; P52-L56 WeakPolarHBondContact O-CD1 3.23Å; P52-L56 WeakPolarHBondContact O-CG 3.39Å; P52-L56 PolarHBondContact O-N 2.66Å; T53-L56 CarbonylContact O-C 3.57Å; T53-L56 PolarHBondContact O-N 3.2Å; K54-L56 VanDerWaalsContact C-N 3.3Å; L56-F58 PolarHBondContact O-N 3Å
57	S	32.6	Very low	37.2	Very low	62 Å²	62	80.4 Å²	80.4	43%	0.434	45%	0.447	S	S	.	.			trans	-81.9	21.2	173.1	80.5	0	0	0	0	112.7	T53 K54 S59	T53-S57 VanDerWaalsContact O-CA 3.32Å; T53-S57 WeakPolarHBondContact O-CA 3.14Å; T53-S57 WeakPolarHBondContact O-CB 3.11Å; T53-S57 PolarHBondContact O-N 3.01Å; T53-S57 PolarHBondContact O-OG 2.9Å; K54-S57 WeakPolarHBondContact CA-OG 3.38Å; S57-S59 PolarHBondContact O-N 3.28Å
58	F	35.8	Very low	37.3	Very low	92 Å²	92	80.1 Å²	80.1	40%	0.404	44%	0.443	S	S	.	.			trans	-67.5	56.4	147.8	-68.1	-83.4	0	0	0	108.4	L55 L56 G60 A61	L55-F58 WeakPolarHBondContact O-CD2 3.45Å; L56-F58 PolarHBondContact O-N 3Å; F58-G60 PolarHBondContact O-N 3.41Å; F58-A61 PolarHBondContact O-N 2.89Å
59	S	29.7	Very low	37.8	Very low	115 Å²	115	81 Å²	81	80%	0.804	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	24.1	-178.4	57.2	0	0	0	0	112	S57	S57-S59 PolarHBondContact O-N 3.28Å
60	G	30.6	Very low	38.3	Very low	77 Å²	77	79.5 Å²	79.5	79%	0.794	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	8.1	179.7	0	0	0	0	0	114.7	F58	F58-G60 PolarHBondContact O-N 3.41Å
61	A	38.1	Very low	38.5	Very low	21 Å²	21	83.7 Å²	83.7	17%	0.174	45%	0.449	C	S	.	.			trans	-150.6	82.9	-169.9	0	0	0	0	0	113.7	F58 E63 Q64 R65	F58-A61 PolarHBondContact O-N 2.89Å; A61-E63 PolarHBondContact O-N 2.91Å; A61-Q64 HydrophobicContact CB-CB 3.58Å; A61-Q64 HydrophobicContact CB-CG 3.8Å; A61-Q64 PolarHBondContact O-N 3.4Å; A61-R65 WeakPolarHBondContact O-CB 2.96Å; A61-R65 PolarHBondContact O-N 3.44Å; A61-R65 VanDerWaalsContact O-N 3.08Å
62	N	45.3	Very low	38.8	Very low	104 Å²	104	83 Å²	83	56%	0.556	45%	0.446	S	S	*	.	H	α-helix	trans	-51.9	-41.8	158	-82.8	-19.1	0	0	0	109.5	Q64 R65 D66	N62-Q64 PolarHBondContact O-N 3.11Å; N62-R65 PolarHBondContact O-N 3.43Å; N62-R65 PolarHBondContact OD1-NH2 2.9Å; N62-D66 VanDerWaalsContact O-CB 3.25Å; N62-D66 WeakPolarHBondContact O-CB 3.32Å; N62-D66 PolarHBondContact O-N 2.83Å
63	E	40	Very low	39.2	Very low	168 Å²	168	84.3 Å²	84.3	79%	0.785	45%	0.454	S	S	*	.	H	α-helix	trans	-63.6	-41.7	180	-65	178.6	156.2	0	0	114.5	A61 D66 H67	A61-E63 PolarHBondContact O-N 2.91Å; E63-D66 PolarHBondContact O-N 3.21Å; E63-H67 WeakPolarHBondContact O-CB 3.47Å; E63-H67 PolarHBondContact O-N 2.96Å
64	Q	41.6	Very low	39.4	Very low	111 Å²	111	81.9 Å²	81.9	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-73.6	-34.8	177.4	-71.5	178.2	-20.3	0	0	111.8	A61 N62 H67 L68	A61-Q64 HydrophobicContact CB-CB 3.58Å; A61-Q64 HydrophobicContact CB-CG 3.8Å; A61-Q64 PolarHBondContact O-N 3.4Å; N62-Q64 PolarHBondContact O-N 3.11Å; Q64-H67 PolarHBondContact O-N 3.05Å; Q64-L68 WeakPolarHBondContact O-CB 3.26Å; Q64-L68 WeakPolarHBondContact O-CG 3.35Å; Q64-L68 PolarHBondContact O-N 2.92Å
65	R	41.4	Very low	39.6	Very low	116 Å²	116	82.7 Å²	82.7	44%	0.438	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-46.6	171.6	-174.5	-174.7	67.9	-157.4	-7.4	110.1	A61 N62 H67 L68 Y69	A61-R65 WeakPolarHBondContact O-CB 2.96Å; A61-R65 PolarHBondContact O-N 3.44Å; A61-R65 VanDerWaalsContact O-N 3.08Å; N62-R65 PolarHBondContact O-N 3.43Å; N62-R65 PolarHBondContact OD1-NH2 2.9Å; R65-H67 VanDerWaalsContact C-N 3.32Å; R65-H67 PolarHBondContact O-N 3.4Å; R65-L68 PolarHBondContact O-N 3.46Å; R65-Y69 HydrophobicContact CG-CD2 3.94Å; R65-Y69 HydrophobicContact CG-CE2 4.14Å; R65-Y69 WeakPolarHBondContact O-CB 3.44Å; R65-Y69 WeakPolarHBondContact O-CD2 3.2Å; R65-Y69 PolarHBondContact O-N 2.82Å
66	D	45.9	Very low	39.9	Very low	85 Å²	85	84.4 Å²	84.4	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-66.4	-35.5	179	-64.5	-13.4	0	0	0	110.9	N62 E63 Y69 A70	N62-D66 VanDerWaalsContact O-CB 3.25Å; N62-D66 WeakPolarHBondContact O-CB 3.32Å; N62-D66 PolarHBondContact O-N 2.83Å; E63-D66 PolarHBondContact O-N 3.21Å; D66-Y69 WeakPolarHBondContact O-CB 3.32Å; D66-Y69 PolarHBondContact O-N 2.76Å; D66-A70 VanDerWaalsContact O-CB 3.29Å; D66-A70 WeakPolarHBondContact O-CB 3.27Å; D66-A70 PolarHBondContact O-N 3.1Å
67	H	45.4	Very low	40.1	Very low	119 Å²	119	85 Å²	85	55%	0.551	48%	0.475	S	S	*	.	H	α-helix	trans	-69.4	-39.7	173.8	-166	-23.2	0	0	0	112.5	E63 Q64 R65 Y69 R71	E63-H67 WeakPolarHBondContact O-CB 3.47Å; E63-H67 PolarHBondContact O-N 2.96Å; Q64-H67 PolarHBondContact O-N 3.05Å; R65-H67 VanDerWaalsContact C-N 3.32Å; R65-H67 PolarHBondContact O-N 3.4Å; H67-Y69 VanDerWaalsContact C-N 3.35Å; H67-R71 WeakPolarHBondContact O-CB 3.45Å; H67-R71 PolarHBondContact O-N 3.42Å
68	L	40.9	Very low	40.1	Very low	55 Å²	55	84.7 Å²	84.7	29%	0.288	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-41.6	170.7	-84.8	158.8	0	0	0	110.6	Q64 R65 R71 A72 A90	Q64-L68 WeakPolarHBondContact O-CB 3.26Å; Q64-L68 WeakPolarHBondContact O-CG 3.35Å; Q64-L68 PolarHBondContact O-N 2.92Å; R65-L68 PolarHBondContact O-N 3.46Å; L68-R71 PolarHBondContact O-N 3.01Å; L68-A72 VanDerWaalsContact O-CB 3.31Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.4Å; L68-A90 HydrophobicContact CB-CB 4.16Å; L68-A90 HydrophobicContact CD2-CB 3.72Å; L68-A90 WeakPolarHBondContact O-CB 3.15Å
69	Y	43.8	Very low	39.9	Very low	54 Å²	54	84.8 Å²	84.8	21%	0.212	48%	0.481	C	S	.	.	H	α-helix	trans	-61.4	-48.4	174.8	-105.8	-90.8	0	0	0	112.3	R65 D66 H67 R71 A72 T73 R94 A97	R65-Y69 HydrophobicContact CG-CD2 3.94Å; R65-Y69 HydrophobicContact CG-CE2 4.14Å; R65-Y69 WeakPolarHBondContact O-CB 3.44Å; R65-Y69 WeakPolarHBondContact O-CD2 3.2Å; R65-Y69 PolarHBondContact O-N 2.82Å; D66-Y69 WeakPolarHBondContact O-CB 3.32Å; D66-Y69 PolarHBondContact O-N 2.76Å; H67-Y69 VanDerWaalsContact C-N 3.35Å; Y69-R71 VanDerWaalsContact C-N 3.28Å; Y69-R71 PolarHBondContact O-N 3.34Å; Y69-A72 CarbonylContact O-C 3.32Å; Y69-A72 VanDerWaalsContact O-C 3.32Å; Y69-A72 WeakPolarHBondContact O-CA 2.98Å; Y69-A72 WeakPolarHBondContact O-CB 3.42Å; Y69-A72 PolarHBondContact O-N 3.49Å; Y69-T73 PolarHBondContact O-N 3.42Å; Y69-T73 PolarHBondContact O-OG1 3Å; Y69-T73 VanDerWaalsContact O-OG1 3.12Å; Y69-R94 HydrophobicContact CD1-CB 4.05Å; Y69-R94 HydrophobicContact CD1-CG 3.89Å; Y69-R94 HydrophobicContact CE1-CB 3.64Å; Y69-R94 HydrophobicContact CE1-CG 3.39Å; Y69-R94 PolarHBondContact OH-O 3.21Å; Y69-A97 WeakPolarHBondContact OH-CB 3.42Å
70	A	45.1	Very low	39.9	Very low	57 Å²	57	87.5 Å²	87.5	47%	0.471	48%	0.48	S	S	.	.	H	α-helix	trans	-60.4	-38.6	177.6	0	0	0	0	0	111.5	D66 T73 A74	D66-A70 VanDerWaalsContact O-CB 3.29Å; D66-A70 WeakPolarHBondContact O-CB 3.27Å; D66-A70 PolarHBondContact O-N 3.1Å; A70-T73 WeakPolarHBondContact CA-OG1 3.17Å; A70-T73 PolarHBondContact O-N 2.84Å; A70-T73 PolarHBondContact O-OG1 3.45Å; A70-A74 PolarHBondContact O-N 3.3Å; A70-A74 VanDerWaalsContact O-N 3.09Å
71	R	43.1	Very low	39.9	Very low	145 Å²	145	86.5 Å²	86.5	55%	0.547	46%	0.461	S	S	.	.	H	α-helix	trans	-67.9	-36.7	171.6	-85.4	-177.7	152.4	-171.6	-5.2	112.8	H67 L68 Y69 T73 A74 W87	H67-R71 WeakPolarHBondContact O-CB 3.45Å; H67-R71 PolarHBondContact O-N 3.42Å; L68-R71 PolarHBondContact O-N 3.01Å; Y69-R71 VanDerWaalsContact C-N 3.28Å; Y69-R71 PolarHBondContact O-N 3.34Å; R71-T73 PolarHBondContact O-N 3.41Å; R71-A74 PolarHBondContact O-N 2.98Å; R71-W87 PolarHBondContact O-NE1 3.06Å
72	A	43.5	Very low	39.7	Very low	0 Å²	0	89.5 Å²	89.5	0%	0	48%	0.477	C	S	.	.	H	α-helix	trans	-76.8	-4.9	174.9	0	0	0	0	0	113.6	L68 Y69 A90 R91	L68-A72 VanDerWaalsContact O-CB 3.31Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.4Å; Y69-A72 CarbonylContact O-C 3.32Å; Y69-A72 VanDerWaalsContact O-C 3.32Å; Y69-A72 WeakPolarHBondContact O-CA 2.98Å; Y69-A72 WeakPolarHBondContact O-CB 3.42Å; Y69-A72 PolarHBondContact O-N 3.49Å; A72-A90 HydrophobicContact CB-CB 3.74Å; A72-R91 HydrophobicContact CB-CG 4.06Å; A72-R91 WeakPolarHBondContact O-CD 3.34Å; A72-R91 PolarHBondContact O-NE 3.4Å; A72-R91 PolarHBondContact O-NH1 3.08Å; A72-R91 PolarHBondContact O-NH2 3.4Å; A72-R91 VanDerWaalsContact O-NH2 3.08Å
73	T	42.9	Very low	39.4	Very low	68 Å²	68	87.7 Å²	87.7	42%	0.417	47%	0.467	S	S	.	.	H	α-helix	trans	-109.5	-11.9	171.7	49.1	0	0	0	0	112.5	Y69 A70 R71 R94	Y69-T73 PolarHBondContact O-N 3.42Å; Y69-T73 PolarHBondContact O-OG1 3Å; Y69-T73 VanDerWaalsContact O-OG1 3.12Å; A70-T73 WeakPolarHBondContact CA-OG1 3.17Å; A70-T73 PolarHBondContact O-N 2.84Å; A70-T73 PolarHBondContact O-OG1 3.45Å; R71-T73 PolarHBondContact O-N 3.41Å; T73-R94 VanDerWaalsContact CG2-CZ 3.47Å
74	A	41	Very low	39.4	Very low	43 Å²	43	81.9 Å²	81.9	36%	0.355	44%	0.443	S	S	.	.	S	Bend	trans	-58	131.6	176.9	0	0	0	0	0	110.6	A70 R71 R91	A70-A74 PolarHBondContact O-N 3.3Å; A70-A74 VanDerWaalsContact O-N 3.09Å; R71-A74 PolarHBondContact O-N 2.98Å; A74-R91 PolarHBondContact O-NH2 3.48Å
75	P	38.7	Very low	39.5	Very low	104 Å²	104	79.2 Å²	79.2	68%	0.675	43%	0.429	S	S	*	.			trans	-62.2	143	175.6	23.4	-30.5	0	0	0	110.1	T77	P75-T77 HydrophobicContact CB-CG2 4.42Å; P75-T77 HydrophobicContact CG-CG2 4.23Å; P75-T77 PolarHBondContact O-N 3.42Å
76	I	40.9	Very low	39.6	Very low	70 Å²	70	77.1 Å²	77.1	36%	0.359	42%	0.424	S	S	.	.			trans	-75.3	97.9	176.2	-57	174.7	0	0	0	107.1	W87 F124	I76-W87 HydrophobicContact CD1-CH2 3.78Å; I76-W87 HydrophobicContact CD1-CZ2 3.84Å; I76-W87 HydrophobicContact CG1-CH2 4.31Å; I76-W87 HydrophobicContact CG1-CZ2 3.84Å; I76-F124 HydrophobicContact CD1-CE1 4.37Å
77	T	36.6	Very low	39.6	Very low	119 Å²	119	74.5 Å²	74.5	73%	0.73	41%	0.408	S	S	*	.			trans	-93.8	-12.3	-175.5	53.1	0	0	0	0	113.7	P75	P75-T77 HydrophobicContact CB-CG2 4.42Å; P75-T77 HydrophobicContact CG-CG2 4.23Å; P75-T77 PolarHBondContact O-N 3.42Å
78	S	32.9	Very low	39.8	Very low	56 Å²	56	70 Å²	70	39%	0.392	39%	0.388	S	S	.	.			trans	-154.4	149.4	169.9	81.2	0	0	0	0	113	E80 S81	S78-E80 PolarHBondContact O-N 3.21Å; S78-S81 PolarHBondContact N-OG 3.39Å; S78-S81 PolarHBondContact O-N 2.95Å; S78-S81 VanDerWaalsContact O-N 3.09Å; S78-S81 PolarHBondContact O-OG 2.92Å; S78-S81 WeakPolarHBondContact OG-CB 3.2Å; S78-S81 PolarHBondContact OG-N 3.03Å; S78-S81 VanDerWaalsContact OG-N 3.11Å; S78-S81 PolarHBondContact OG-OG 2.67Å
79	V	31.3	Very low	40.3	Very low	94 Å²	94	68.4 Å²	68.4	57%	0.57	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24	177.2	-178.9	0	0	0	0	112.2
80	E	28.1	Very low	40.5	Very low	172 Å²	172	66.1 Å²	66.1	80%	0.804	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.2	177.8	-67.9	-173.5	153.3	0	0	113.6	S78 V82	S78-E80 PolarHBondContact O-N 3.21Å; E80-V82 VanDerWaalsContact O-CG2 3.29Å; E80-V82 WeakPolarHBondContact O-CG2 3.12Å; E80-V82 PolarHBondContact O-N 3.49Å
81	S	31.7	Very low	40.9	Very low	55 Å²	55	64.5 Å²	64.5	39%	0.385	35%	0.353	S	S	.	.	S	Bend	trans	-79.1	55.6	173.1	38.5	0	0	0	0	111.3	S78	S78-S81 PolarHBondContact N-OG 3.39Å; S78-S81 PolarHBondContact O-N 2.95Å; S78-S81 VanDerWaalsContact O-N 3.09Å; S78-S81 PolarHBondContact O-OG 2.92Å; S78-S81 WeakPolarHBondContact OG-CB 3.2Å; S78-S81 PolarHBondContact OG-N 3.03Å; S78-S81 VanDerWaalsContact OG-N 3.11Å; S78-S81 PolarHBondContact OG-OG 2.67Å
82	V	33.6	Very low	41.3	Very low	84 Å²	84	60.8 Å²	60.8	51%	0.509	34%	0.344	S	S	.	.			trans	50.7	93.1	142.3	-136.3	0	0	0	0	115.4	E80 T84	E80-V82 VanDerWaalsContact O-CG2 3.29Å; E80-V82 WeakPolarHBondContact O-CG2 3.12Å; E80-V82 PolarHBondContact O-N 3.49Å; V82-T84 HydrophobicContact CB-CG2 3.76Å; V82-T84 HydrophobicContact CG1-CG2 3.12Å; V82-T84 PolarHBondContact O-N 3.46Å
83	L	39.2	Very low	41.5	Very low	66 Å²	66	62.1 Å²	62.1	35%	0.346	35%	0.352	S	S	.	.			trans	-58.2	60.4	140.1	-68.8	160.4	0	0	0	109.4	W87 F124	L83-W87 HydrophobicContact CD2-CE3 4.02Å; L83-W87 HydrophobicContact CD2-CZ3 3.79Å; L83-F124 HydrophobicContact CD1-CD1 4.16Å; L83-F124 HydrophobicContact CD2-CD1 4.22Å
84	T	40.9	Very low	41.9	Very low	47 Å²	47	61 Å²	61	29%	0.288	34%	0.34	S	S	.	.			trans	-62.5	147.2	166.2	48.2	0	0	0	0	106.7	V82 E86 W87 L88	V82-T84 HydrophobicContact CB-CG2 3.76Å; V82-T84 HydrophobicContact CG1-CG2 3.12Å; V82-T84 PolarHBondContact O-N 3.46Å; T84-E86 PolarHBondContact O-N 2.95Å; T84-E86 VanDerWaalsContact O-N 3.13Å; T84-W87 PolarHBondContact O-N 3.36Å; T84-W87 WeakPolarHBondContact OG1-CB 3.31Å; T84-W87 PolarHBondContact OG1-N 3.29Å; T84-W87 VanDerWaalsContact OG1-N 3.09Å; T84-L88 PolarHBondContact O-N 3Å
85	Y	43.6	Very low	42.4	Very low	55 Å²	55	61 Å²	61	22%	0.216	33%	0.331	C	S	.	.	H	α-helix	trans	-45.5	-41.9	166	174.4	-99.6	0	0	0	111	W45 W51 W87 L88 L89	W45-Y85 HydrophobicContact CH2-CE1 4.48Å; W45-Y85 HydrophobicContact CZ3-CE1 4.31Å; W45-Y85 WeakPolarHBondContact CZ3-OH 3.42Å; W51-Y85 HydrophobicContact CH2-CE2 4.4Å; Y85-W87 PolarHBondContact O-N 2.97Å; Y85-L88 PolarHBondContact O-N 3.46Å; Y85-L89 HydrophobicContact CD1-CD2 4.31Å; Y85-L89 HydrophobicContact CE1-CD1 4.25Å; Y85-L89 HydrophobicContact CE1-CD2 3.71Å; Y85-L89 HydrophobicContact CE1-CG 4.45Å; Y85-L89 WeakPolarHBondContact O-CB 3.36Å; Y85-L89 PolarHBondContact O-N 2.95Å
86	E	43.2	Very low	42.8	Very low	72 Å²	72	62.2 Å²	62.2	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-37.7	179.1	-68.5	141.1	177.7	0	0	113.7	R42 T84 A90	R42-E86 IonicContact CZ-OE1 3.69Å; R42-E86 IonicContact NE-OE1 3.91Å; R42-E86 IonicContact NH2-OE1 2.85Å; R42-E86 PolarHBondContact NH2-OE1 3.39Å; T84-E86 PolarHBondContact O-N 2.95Å; T84-E86 VanDerWaalsContact O-N 3.13Å; E86-A90 VanDerWaalsContact O-CB 3.22Å; E86-A90 WeakPolarHBondContact O-CB 3.48Å; E86-A90 PolarHBondContact O-N 3.09Å
87	W	45.8	Very low	43	Very low	30 Å²	30	60.6 Å²	60.6	11%	0.114	32%	0.319	C	S	.	.	H	α-helix	trans	-69.9	-42.7	177.3	-176.6	93.4	0	0	0	111.9	R71 I76 L83 T84 Y85 A90 R91 F117	R71-W87 PolarHBondContact O-NE1 3.06Å; I76-W87 HydrophobicContact CD1-CH2 3.78Å; I76-W87 HydrophobicContact CD1-CZ2 3.84Å; I76-W87 HydrophobicContact CG1-CH2 4.31Å; I76-W87 HydrophobicContact CG1-CZ2 3.84Å; L83-W87 HydrophobicContact CD2-CE3 4.02Å; L83-W87 HydrophobicContact CD2-CZ3 3.79Å; T84-W87 PolarHBondContact O-N 3.36Å; T84-W87 WeakPolarHBondContact OG1-CB 3.31Å; T84-W87 PolarHBondContact OG1-N 3.29Å; T84-W87 VanDerWaalsContact OG1-N 3.09Å; Y85-W87 PolarHBondContact O-N 2.97Å; W87-A90 PolarHBondContact O-N 2.74Å; W87-R91 HydrophobicContact CD2-CG 4.33Å; W87-R91 HydrophobicContact CE3-CG 4.29Å; W87-R91 HydrophobicContact CH2-CG 4.11Å; W87-R91 HydrophobicContact CZ2-CG 4.16Å; W87-R91 VanDerWaalsContact CZ2-NE 3.35Å; W87-R91 HydrophobicContact CZ3-CG 4.19Å; W87-R91 WeakPolarHBondContact O-CG 3.13Å; W87-R91 PolarHBondContact O-N 3.2Å; W87-F117 HydrophobicContact CH2-CD1 4.08Å; W87-F117 AromaticContact CH2-CE1 3.8Å; W87-F117 HydrophobicContact CH2-CE1 3.8Å; W87-F117 HydrophobicContact CZ3-CD1 4.41Å; W87-F117 AromaticContact CZ3-CE1 3.68Å; W87-F117 HydrophobicContact CZ3-CE1 3.68Å; W87-F117 HydrophobicContact CZ3-CZ 4.49Å
88	L	50.2	Low	43.3	Very low	24 Å²	24	56.9 Å²	56.9	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-43.9	175.7	-167.7	89.7	0	0	0	111.4	T84 Y85 A90 R91 L92 F117 F138	T84-L88 PolarHBondContact O-N 3Å; Y85-L88 PolarHBondContact O-N 3.46Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.37Å; L88-R91 PolarHBondContact O-N 3.13Å; L88-L92 HydrophobicContact CD2-CD1 4.2Å; L88-L92 HydrophobicContact CG-CD1 4.33Å; L88-L92 WeakPolarHBondContact O-CG 3.07Å; L88-L92 PolarHBondContact O-N 3.32Å; L88-F117 HydrophobicContact CD1-CZ 4.07Å; L88-F138 HydrophobicContact CD1-CE1 3.68Å; L88-F138 HydrophobicContact CD1-CE2 4.44Å; L88-F138 HydrophobicContact CD1-CZ 3.49Å; L88-F138 VanDerWaalsContact CD1-CZ 3.49Å; L88-F138 HydrophobicContact CD2-CE1 4.19Å; L88-F138 HydrophobicContact CD2-CE2 3.39Å; L88-F138 HydrophobicContact CD2-CZ 3.21Å; L88-F138 HydrophobicContact CG-CE2 4.48Å; L88-F138 HydrophobicContact CG-CZ 3.86Å
89	L	49.8	Very low	43.9	Very low	22 Å²	22	56.6 Å²	56.6	12%	0.115	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-42.5	177.9	-162.9	74.7	0	0	0	110.9	W45 L55 Y85 L92 V93	W45-L89 HydrophobicContact CH2-CD2 4.24Å; L55-L89 HydrophobicContact CD1-CD1 3.79Å; L55-L89 HydrophobicContact CD1-CG 4.32Å; L55-L89 HydrophobicContact CD2-CD1 3.82Å; L55-L89 HydrophobicContact CD2-CD2 3.57Å; L55-L89 HydrophobicContact CD2-CG 3.4Å; L55-L89 HydrophobicContact CG-CD1 4.25Å; L55-L89 HydrophobicContact CG-CG 4.34Å; Y85-L89 HydrophobicContact CD1-CD2 4.31Å; Y85-L89 HydrophobicContact CE1-CD1 4.25Å; Y85-L89 HydrophobicContact CE1-CD2 3.71Å; Y85-L89 HydrophobicContact CE1-CG 4.45Å; Y85-L89 WeakPolarHBondContact O-CB 3.36Å; Y85-L89 PolarHBondContact O-N 2.95Å; L89-L92 PolarHBondContact O-N 3.46Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.23Å; L89-V93 PolarHBondContact O-N 3.02Å
90	A	47.8	Very low	44.3	Very low	5 Å²	5	56.8 Å²	56.8	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-40.4	177.2	0	0	0	0	0	112.6	L68 A72 E86 W87 L88 V93 R94	L68-A90 HydrophobicContact CB-CB 4.16Å; L68-A90 HydrophobicContact CD2-CB 3.72Å; L68-A90 WeakPolarHBondContact O-CB 3.15Å; A72-A90 HydrophobicContact CB-CB 3.74Å; E86-A90 VanDerWaalsContact O-CB 3.22Å; E86-A90 WeakPolarHBondContact O-CB 3.48Å; E86-A90 PolarHBondContact O-N 3.09Å; W87-A90 PolarHBondContact O-N 2.74Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.37Å; A90-V93 PolarHBondContact O-N 3.44Å; A90-R94 WeakPolarHBondContact O-CB 3.36Å; A90-R94 PolarHBondContact O-N 2.86Å
91	R	54.1	Low	44.6	Very low	23 Å²	23	50.1 Å²	50.1	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-45.9	173.5	-74.2	-84.3	-173.9	174.1	-17.3	111.4	A72 A74 W87 L88 V93 R94 R95 L116	A72-R91 HydrophobicContact CB-CG 4.06Å; A72-R91 WeakPolarHBondContact O-CD 3.34Å; A72-R91 PolarHBondContact O-NE 3.4Å; A72-R91 PolarHBondContact O-NH1 3.08Å; A72-R91 PolarHBondContact O-NH2 3.4Å; A72-R91 VanDerWaalsContact O-NH2 3.08Å; A74-R91 PolarHBondContact O-NH2 3.48Å; W87-R91 HydrophobicContact CD2-CG 4.33Å; W87-R91 HydrophobicContact CE3-CG 4.29Å; W87-R91 HydrophobicContact CH2-CG 4.11Å; W87-R91 HydrophobicContact CZ2-CG 4.16Å; W87-R91 VanDerWaalsContact CZ2-NE 3.35Å; W87-R91 HydrophobicContact CZ3-CG 4.19Å; W87-R91 WeakPolarHBondContact O-CG 3.13Å; W87-R91 PolarHBondContact O-N 3.2Å; L88-R91 PolarHBondContact O-N 3.13Å; R91-V93 PolarHBondContact O-N 2.84Å; R91-R94 WeakPolarHBondContact O-CB 3.29Å; R91-R94 PolarHBondContact O-N 3.28Å; R91-R95 PolarHBondContact O-N 3.37Å; R91-L116 HydrophobicContact CB-CD2 3.78Å; R91-L116 PolarHBondContact NH1-O 3.34Å; R91-L116 VanDerWaalsContact O-CD2 3.31Å; R91-L116 WeakPolarHBondContact O-CD2 3.39Å
92	L	51	Low	44.8	Very low	68 Å²	68	49.3 Å²	49.3	36%	0.356	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-42.2	177.4	-71.9	169	0	0	0	112.6	L88 L89 R95 R96 M145	L88-L92 HydrophobicContact CD2-CD1 4.2Å; L88-L92 HydrophobicContact CG-CD1 4.33Å; L88-L92 WeakPolarHBondContact O-CG 3.07Å; L88-L92 PolarHBondContact O-N 3.32Å; L89-L92 PolarHBondContact O-N 3.46Å; L92-R95 PolarHBondContact O-N 2.87Å; L92-R96 PolarHBondContact O-N 3.41Å; L92-M145 HydrophobicContact CD2-CE 3.65Å
93	V	49.1	Very low	44.9	Very low	28 Å²	28	51.8 Å²	51.8	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-44.2	174.4	170.8	0	0	0	0	111.1	L55 L89 A90 R91 R95 R96 A97	L55-V93 HydrophobicContact CB-CG2 4.16Å; L55-V93 HydrophobicContact CD1-CG2 4.25Å; L55-V93 HydrophobicContact CD2-CG2 3.37Å; L55-V93 HydrophobicContact CG-CG2 4.15Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.23Å; L89-V93 PolarHBondContact O-N 3.02Å; A90-V93 PolarHBondContact O-N 3.44Å; R91-V93 PolarHBondContact O-N 2.84Å; V93-R95 PolarHBondContact O-N 3.35Å; V93-R96 PolarHBondContact O-N 3.21Å; V93-A97 WeakPolarHBondContact O-CB 3.4Å; V93-A97 PolarHBondContact O-N 3.49Å
94	R	50.7	Low	44.6	Very low	43 Å²	43	54.3 Å²	54.3	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-47	175.2	169.5	165	-175.4	-112.2	-5.2	111.7	Y69 T73 A90 R91 A97 L98	Y69-R94 HydrophobicContact CD1-CB 4.05Å; Y69-R94 HydrophobicContact CD1-CG 3.89Å; Y69-R94 HydrophobicContact CE1-CB 3.64Å; Y69-R94 HydrophobicContact CE1-CG 3.39Å; Y69-R94 PolarHBondContact OH-O 3.21Å; T73-R94 VanDerWaalsContact CG2-CZ 3.47Å; A90-R94 WeakPolarHBondContact O-CB 3.36Å; A90-R94 PolarHBondContact O-N 2.86Å; R91-R94 WeakPolarHBondContact O-CB 3.29Å; R91-R94 PolarHBondContact O-N 3.28Å; R94-A97 PolarHBondContact O-N 3.43Å; R94-L98 HydrophobicContact CG-CD1 3.89Å; R94-L98 HydrophobicContact CG-CG 4.45Å; R94-L98 WeakPolarHBondContact O-CB 3.22Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.03Å
95	R	50.4	Low	44.4	Very low	44 Å²	44	58.5 Å²	58.5	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-44.5	178.6	-173.7	63.8	169.2	163.9	1.7	112.6	R91 L92 V93 A97 L98 L99 F109 D113 A114 L116	R91-R95 PolarHBondContact O-N 3.37Å; L92-R95 PolarHBondContact O-N 2.87Å; V93-R95 PolarHBondContact O-N 3.35Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 2.01Å; R95-L98 PolarHBondContact O-N 3.24Å; R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 HydrophobicContact CG-CG 4.38Å; R95-L99 WeakPolarHBondContact O-CB 3.48Å; R95-L99 VanDerWaalsContact O-CG 3.3Å; R95-L99 WeakPolarHBondContact O-CG 3.38Å; R95-L99 PolarHBondContact O-N 2.88Å; R95-F109 VanDerWaalsContact NH1-CZ 3.3Å; R95-D113 PolarHBondContact NH1-O 3.3Å; R95-D113 VanDerWaalsContact NH1-O 3.16Å; R95-A114 VanDerWaalsContact CZ-O 3.25Å; R95-A114 VanDerWaalsContact NH1-CA 3.26Å; R95-A114 PolarHBondContact NH1-O 3.1Å; R95-A114 PolarHBondContact NH2-O 3.42Å; R95-L116 HydrophobicContact CB-CD1 3.66Å; R95-L116 HydrophobicContact CB-CD2 3.95Å; R95-L116 HydrophobicContact CB-CG 3.89Å; R95-L116 HydrophobicContact CG-CD1 3.54Å; R95-L116 HydrophobicContact CG-CG 4.05Å
96	R	47.1	Very low	44.2	Very low	129 Å²	129	60.5 Å²	60.5	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-42.7	178.6	-177.8	168.4	179	144.7	-0.5	111.5	L92 V93 L99 L100	L92-R96 PolarHBondContact O-N 3.41Å; V93-R96 PolarHBondContact O-N 3.21Å; R96-L99 PolarHBondContact O-N 3.4Å; R96-L100 HydrophobicContact CG-CD1 4.03Å; R96-L100 HydrophobicContact CG-CG 4.49Å; R96-L100 WeakPolarHBondContact O-CB 3.29Å; R96-L100 VanDerWaalsContact O-CG 3.23Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 2.85Å
97	A	45.1	Very low	43.8	Very low	37 Å²	37	62.8 Å²	62.8	31%	0.306	34%	0.336	S	S	.	.	H	α-helix	trans	-68.9	-37.8	177.4	0	0	0	0	0	112.5	Y69 V93 R94 R95 L100 A101	Y69-A97 WeakPolarHBondContact OH-CB 3.42Å; V93-A97 WeakPolarHBondContact O-CB 3.4Å; V93-A97 PolarHBondContact O-N 3.49Å; R94-A97 PolarHBondContact O-N 3.43Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 2.01Å; A97-L100 PolarHBondContact O-N 2.89Å; A97-A101 WeakPolarHBondContact O-CB 3.39Å; A97-A101 PolarHBondContact O-N 3.32Å
98	L	44.4	Very low	43.4	Very low	41 Å²	41	66.4 Å²	66.4	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-44.1	170.9	-74	170.6	0	0	0	111.8	R94 R95 A101 A102 F109	R94-L98 HydrophobicContact CG-CD1 3.89Å; R94-L98 HydrophobicContact CG-CG 4.45Å; R94-L98 WeakPolarHBondContact O-CB 3.22Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.03Å; R95-L98 PolarHBondContact O-N 3.24Å; L98-A101 CarbonylContact O-C 3.6Å; L98-A101 WeakPolarHBondContact O-CB 2.9Å; L98-A101 PolarHBondContact O-N 3.39Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 2.97Å; L98-F109 HydrophobicContact CB-CE2 4.05Å; L98-F109 HydrophobicContact CB-CZ 4.33Å; L98-F109 WeakPolarHBondContact O-CE2 3.26Å
99	L	43.7	Very low	42.9	Very low	49 Å²	49	68.8 Å²	68.8	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-41	176.4	-72.9	170.9	0	0	0	112	W24 R95 R96 A101 A102 I103	W24-L99 HydrophobicContact CH2-CD1 4.15Å; W24-L99 HydrophobicContact CZ3-CD1 3.69Å; R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 HydrophobicContact CG-CG 4.38Å; R95-L99 WeakPolarHBondContact O-CB 3.48Å; R95-L99 VanDerWaalsContact O-CG 3.3Å; R95-L99 WeakPolarHBondContact O-CG 3.38Å; R95-L99 PolarHBondContact O-N 2.88Å; R96-L99 PolarHBondContact O-N 3.4Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 2.88Å; L99-A102 WeakPolarHBondContact O-CB 3.37Å; L99-A102 PolarHBondContact O-N 3.41Å; L99-I103 WeakPolarHBondContact O-CD1 3.41Å; L99-I103 VanDerWaalsContact O-CG1 3.24Å; L99-I103 WeakPolarHBondContact O-CG1 3.24Å; L99-I103 PolarHBondContact O-N 3.34Å; L99-I103 VanDerWaalsContact O-N 3.1Å
100	L	40.2	Very low	42.5	Very low	98 Å²	98	72.6 Å²	72.6	51%	0.513	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-36.8	173.9	-73.2	169.5	0	0	0	111.9	R96 A97 I103	R96-L100 HydrophobicContact CG-CD1 4.03Å; R96-L100 HydrophobicContact CG-CG 4.49Å; R96-L100 WeakPolarHBondContact O-CB 3.29Å; R96-L100 VanDerWaalsContact O-CG 3.23Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 2.85Å; A97-L100 PolarHBondContact O-N 2.89Å; L100-I103 HydrophobicContact CD2-CD1 4.47Å
101	A	35.6	Very low	42.2	Very low	33 Å²	33	80.7 Å²	80.7	27%	0.273	43%	0.433	S	S	.	.	H	α-helix	trans	-68.2	-36.4	172.7	0	0	0	0	0	112.1	A97 L98 L99 I103 H104 H107	A97-A101 WeakPolarHBondContact O-CB 3.39Å; A97-A101 PolarHBondContact O-N 3.32Å; L98-A101 CarbonylContact O-C 3.6Å; L98-A101 WeakPolarHBondContact O-CB 2.9Å; L98-A101 PolarHBondContact O-N 3.39Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 2.88Å; A101-I103 VanDerWaalsContact C-N 3.29Å; A101-I103 PolarHBondContact O-N 3.46Å; A101-H104 WeakPolarHBondContact O-CB 3.3Å; A101-H104 PolarHBondContact O-N 2.96Å; A101-H107 WeakPolarHBondContact O-CB 3.43Å
102	A	35	Very low	41.5	Very low	37 Å²	37	88.1 Å²	88.1	31%	0.306	47%	0.468	S	S	.	.	H	α-helix	trans	-67.8	-26.8	177.6	0	0	0	0	0	113.8	L98 L99 H104 F109	L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 2.97Å; L99-A102 WeakPolarHBondContact O-CB 3.37Å; L99-A102 PolarHBondContact O-N 3.41Å; A102-H104 PolarHBondContact O-N 3.46Å; A102-F109 HydrophobicContact CB-CB 4.46Å; A102-F109 HydrophobicContact CB-CD2 3.28Å; A102-F109 HydrophobicContact CB-CE2 3.6Å; A102-F109 HydrophobicContact CB-CG 4.07Å
103	I	35.3	Very low	40.9	Very low	136 Å²	136	88.4 Å²	88.4	70%	0.697	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.2	173.7	-63	159	0	0	0	110.4	L99 L100 A101	L99-I103 WeakPolarHBondContact O-CD1 3.41Å; L99-I103 VanDerWaalsContact O-CG1 3.24Å; L99-I103 WeakPolarHBondContact O-CG1 3.24Å; L99-I103 PolarHBondContact O-N 3.34Å; L99-I103 VanDerWaalsContact O-N 3.1Å; L100-I103 HydrophobicContact CD2-CD1 4.47Å; A101-I103 VanDerWaalsContact C-N 3.29Å; A101-I103 PolarHBondContact O-N 3.46Å
104	H	33.8	Very low	40.3	Very low	120 Å²	120	88.6 Å²	88.6	56%	0.556	48%	0.475	S	S	*	.	S	Bend	trans	-80.6	124.9	173.8	-130.1	-89.5	0	0	0	110.3	A101 A102 S106 H107	A101-H104 WeakPolarHBondContact O-CB 3.3Å; A101-H104 PolarHBondContact O-N 2.96Å; A102-H104 PolarHBondContact O-N 3.46Å; H104-S106 PolarHBondContact O-N 3.49Å; H104-H107 PolarHBondContact O-N 2.9Å; H104-H107 VanDerWaalsContact O-N 3.11Å
105	P	36.7	Very low	39.7	Very low	134 Å²	134	87.8 Å²	87.8	87%	0.87	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9	-168.3	21.9	-32.3	0	0	0	115.3
106	S	39.4	Very low	39.2	Very low	98 Å²	98	86 Å²	86	69%	0.685	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.3	179.7	54.9	0	0	0	0	114.5	H104	H104-S106 PolarHBondContact O-N 3.49Å
107	H	34.2	Very low	38.8	Very low	120 Å²	120	80.3 Å²	80.3	56%	0.556	45%	0.448	S	S	*	.			trans	-103.3	108.2	-178.8	-96.6	-81.2	0	0	0	111.1	A101 H104 F109	A101-H107 WeakPolarHBondContact O-CB 3.43Å; H104-H107 PolarHBondContact O-N 2.9Å; H104-H107 VanDerWaalsContact O-N 3.11Å; H107-F109 PolarHBondContact O-N 3.26Å
108	S	38.3	Very low	38.5	Very low	106 Å²	106	84.4 Å²	84.4	74%	0.741	47%	0.465	S	S	*	.			trans	-70.3	114.6	166.5	56.3	0	0	0	0	109.1	N110	S108-N110 PolarHBondContact O-N 2.94Å
109	F	39.1	Very low	38.2	Very low	74 Å²	74	83.5 Å²	83.5	33%	0.325	46%	0.462	S	S	.	.			trans	-80.1	109.8	177.1	-150.8	-101.2	0	0	0	109.3	R95 L98 A102 H107 A114	R95-F109 VanDerWaalsContact NH1-CZ 3.3Å; L98-F109 HydrophobicContact CB-CE2 4.05Å; L98-F109 HydrophobicContact CB-CZ 4.33Å; L98-F109 WeakPolarHBondContact O-CE2 3.26Å; A102-F109 HydrophobicContact CB-CB 4.46Å; A102-F109 HydrophobicContact CB-CD2 3.28Å; A102-F109 HydrophobicContact CB-CE2 3.6Å; A102-F109 HydrophobicContact CB-CG 4.07Å; H107-F109 PolarHBondContact O-N 3.26Å; F109-A114 HydrophobicContact CE1-CB 4.37Å
110	N	41.9	Very low	38	Very low	101 Å²	101	86.5 Å²	86.5	54%	0.54	48%	0.478	S	S	.	.			trans	-75	127.2	170.3	-82	-16.3	0	0	0	108.8	S108 E112 D113	S108-N110 PolarHBondContact O-N 2.94Å; N110-E112 PolarHBondContact O-N 2.8Å; N110-E112 VanDerWaalsContact O-N 3.11Å; N110-D113 WeakPolarHBondContact O-CB 3.02Å; N110-D113 PolarHBondContact O-N 2.75Å
111	E	40.7	Very low	37.7	Very low	176 Å²	176	85.7 Å²	85.7	82%	0.822	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-60	-20.9	-179.9	-74.3	-174.7	148.8	0	0	113.2	D113 A114	E111-D113 VanDerWaalsContact C-N 3.28Å; E111-D113 PolarHBondContact O-N 3.36Å; E111-A114 WeakPolarHBondContact O-CB 3.08Å; E111-A114 PolarHBondContact O-N 3.09Å
112	E	39.8	Very low	37.6	Very low	178 Å²	178	85.4 Å²	85.4	83%	0.832	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-66	-29.2	172.6	-69	-171.8	151.7	0	0	112.8	N110 A114	N110-E112 PolarHBondContact O-N 2.8Å; N110-E112 VanDerWaalsContact O-N 3.11Å; E112-A114 PolarHBondContact O-N 3.2Å
113	D	38.6	Very low	37.7	Very low	74 Å²	74	86.9 Å²	86.9	40%	0.396	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-77.3	-2.5	172.3	-71.3	-51.5	0	0	0	112.5	R95 N110 E111 S115	R95-D113 PolarHBondContact NH1-O 3.3Å; R95-D113 VanDerWaalsContact NH1-O 3.16Å; N110-D113 WeakPolarHBondContact O-CB 3.02Å; N110-D113 PolarHBondContact O-N 2.75Å; E111-D113 VanDerWaalsContact C-N 3.28Å; E111-D113 PolarHBondContact O-N 3.36Å; D113-S115 VanDerWaalsContact C-N 3.32Å
114	A	36.9	Very low	37.8	Very low	33 Å²	33	80.9 Å²	80.9	27%	0.273	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-71.9	-27.3	179.8	0	0	0	0	0	113.5	R95 F109 E111 E112 L116	R95-A114 VanDerWaalsContact CZ-O 3.25Å; R95-A114 VanDerWaalsContact NH1-CA 3.26Å; R95-A114 PolarHBondContact NH1-O 3.1Å; R95-A114 PolarHBondContact NH2-O 3.42Å; F109-A114 HydrophobicContact CE1-CB 4.37Å; E111-A114 WeakPolarHBondContact O-CB 3.08Å; E111-A114 PolarHBondContact O-N 3.09Å; E112-A114 PolarHBondContact O-N 3.2Å; A114-L116 PolarHBondContact O-N 2.81Å
115	S	38.3	Very low	37.9	Very low	25 Å²	25	77.2 Å²	77.2	18%	0.175	45%	0.45	C	S	.	.			trans	-75	109.6	-175.7	176.2	0	0	0	0	111.2	D113 F117	D113-S115 VanDerWaalsContact C-N 3.32Å; S115-F117 VanDerWaalsContact C-N 3.25Å; S115-F117 VanDerWaalsContact OG-C 3.27Å; S115-F117 PolarHBondContact OG-O 2.78Å
116	L	38.8	Very low	38.1	Very low	6 Å²	6	71.8 Å²	71.8	3%	0.031	41%	0.414	C	S	.	.	S	Bend	trans	-73	-24.6	171.4	-106.5	162.6	0	0	0	112	R91 R95 A114 M145	R91-L116 HydrophobicContact CB-CD2 3.78Å; R91-L116 PolarHBondContact NH1-O 3.34Å; R91-L116 VanDerWaalsContact O-CD2 3.31Å; R91-L116 WeakPolarHBondContact O-CD2 3.39Å; R95-L116 HydrophobicContact CB-CD1 3.66Å; R95-L116 HydrophobicContact CB-CD2 3.95Å; R95-L116 HydrophobicContact CB-CG 3.89Å; R95-L116 HydrophobicContact CG-CD1 3.54Å; R95-L116 HydrophobicContact CG-CG 4.05Å; A114-L116 PolarHBondContact O-N 2.81Å; L116-M145 HydrophobicContact CB-CB 4.16Å; L116-M145 HydrophobicContact CD1-CB 4.09Å; L116-M145 HydrophobicContact CD1-CE 3.3Å; L116-M145 HydrophobicContact CD1-CG 4.26Å; L116-M145 HydrophobicContact CD1-SD 3.26Å; L116-M145 WeakPolarHBondContact CD1-SD 3.16Å; L116-M145 PolarHBondContact N-O 3.47Å
117	F	39.4	Very low	38	Very low	10 Å²	10	71.6 Å²	71.6	4%	0.044	41%	0.405	C	S	.	.			trans	-141.3	116.5	-174.7	-64.7	-88.3	0	0	0	109.8	W87 L88 S115 C119 F124 I142 M145	W87-F117 HydrophobicContact CH2-CD1 4.08Å; W87-F117 AromaticContact CH2-CE1 3.8Å; W87-F117 HydrophobicContact CH2-CE1 3.8Å; W87-F117 HydrophobicContact CZ3-CD1 4.41Å; W87-F117 AromaticContact CZ3-CE1 3.68Å; W87-F117 HydrophobicContact CZ3-CE1 3.68Å; W87-F117 HydrophobicContact CZ3-CZ 4.49Å; L88-F117 HydrophobicContact CD1-CZ 4.07Å; S115-F117 VanDerWaalsContact C-N 3.25Å; S115-F117 VanDerWaalsContact OG-C 3.27Å; S115-F117 PolarHBondContact OG-O 2.78Å; F117-C119 VanDerWaalsContact C-N 3.34Å; F117-C119 PolarHBondContact O-N 3.48Å; F117-F124 HydrophobicContact CD1-CE1 4.09Å; F117-F124 HydrophobicContact CD1-CZ 4.14Å; F117-F124 HydrophobicContact CE1-CE1 4.4Å; F117-I142 HydrophobicContact CE1-CG1 4.42Å; F117-I142 HydrophobicContact CE2-CG1 4.43Å; F117-I142 HydrophobicContact CZ-CG1 4.15Å; F117-M145 HydrophobicContact CD2-CB 4.35Å
118	D	39.1	Very low	38.2	Very low	123 Å²	123	70.7 Å²	70.7	66%	0.658	41%	0.41	S	S	*	.			trans	-72.1	96.9	160.4	-91	-22.7	0	0	0	108.2	D120 S122	D118-D120 PolarHBondContact O-N 2.84Å; D118-S122 PolarHBondContact O-OG 3.36Å
119	C	37.9	Very low	38.2	Very low	23 Å²	23	76.6 Å²	76.6	16%	0.155	42%	0.416	C	S	.	.			trans	-81.2	1.4	178.5	-75.3	0	0	0	0	113.7	F117 G121 C150	F117-C119 VanDerWaalsContact C-N 3.34Å; F117-C119 PolarHBondContact O-N 3.48Å; C119-G121 PolarHBondContact O-N 3.28Å; C119-G121 VanDerWaalsContact O-N 3.11Å; C119-C150 HydrophobicContact CB-CB 3.76Å; C119-C150 WeakPolarHBondContact CB-SG 3.49Å; C119-C150 WeakPolarHBondContact SG-CB 3.36Å; C119-C150 CovalentContact SG-SG 2.01Å; C119-C150 PolarHBondContact SG-SG 3.33Å
120	D	39.7	Very low	38.2	Very low	111 Å²	111	74 Å²	74	59%	0.594	41%	0.407	S	S	*	.	S	Bend	trans	-69.9	108.3	172	-82.8	-23	0	0	0	109.6	D118 S122 K148	D118-D120 PolarHBondContact O-N 2.84Å; D120-S122 VanDerWaalsContact C-N 3.35Å; D120-S122 PolarHBondContact O-N 3Å; D120-K148 IonicContact OD1-NZ 2.76Å; D120-K148 PolarHBondContact OD1-NZ 3.39Å; D120-K148 IonicContact OD2-NZ 2.76Å; D120-K148 PolarHBondContact OD2-NZ 3.02Å
121	G	32.9	Very low	38	Very low	82 Å²	82	72.5 Å²	72.5	85%	0.845	40%	0.403	S	S	*	.	S	Bend	trans	83.7	-2.7	174.7	0	0	0	0	0	116.2	C119	C119-G121 PolarHBondContact O-N 3.28Å; C119-G121 VanDerWaalsContact O-N 3.11Å
122	S	34.3	Very low	38.1	Very low	27 Å²	27	70.9 Å²	70.9	19%	0.189	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-88.1	122.3	-176.6	-64.1	0	0	0	0	112	D118 D120	D118-S122 PolarHBondContact O-OG 3.36Å; D120-S122 VanDerWaalsContact C-N 3.35Å; D120-S122 PolarHBondContact O-N 3Å
123	T	36.2	Very low	37.9	Very low	68 Å²	68	64 Å²	64	42%	0.417	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-102.8	118.5	172.4	-45.2	0	0	0	0	109.6	Q153	T123-Q153 HydrophobicContact CG2-CB 4.4Å
124	F	38.4	Very low	37.9	Very low	9 Å²	9	61 Å²	61	4%	0.039	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-93.6	125.6	-178.1	-58.6	-87.1	0	0	0	110.4	I76 L83 F117 I142 C150 Y152	I76-F124 HydrophobicContact CD1-CE1 4.37Å; L83-F124 HydrophobicContact CD1-CD1 4.16Å; L83-F124 HydrophobicContact CD2-CD1 4.22Å; F117-F124 HydrophobicContact CD1-CE1 4.09Å; F117-F124 HydrophobicContact CD1-CZ 4.14Å; F117-F124 HydrophobicContact CE1-CE1 4.4Å; F124-I142 HydrophobicContact CD1-CD1 4.19Å; F124-I142 HydrophobicContact CD2-CG2 4.3Å; F124-I142 HydrophobicContact CE2-CG2 4.16Å; F124-I142 HydrophobicContact CG-CD1 4.32Å; F124-I142 HydrophobicContact CZ-CG2 4.39Å; F124-C150 HydrophobicContact CE2-CB 4.17Å; F124-Y152 HydrophobicContact CB-CD2 4.12Å; F124-Y152 HydrophobicContact CB-CE2 4.17Å; F124-Y152 WeakPolarHBondContact O-CD2 3.39Å; F124-Y152 WeakPolarHBondContact O-CE2 3.45Å
125	T	36.2	Very low	38.1	Very low	44 Å²	44	62.7 Å²	62.7	27%	0.27	35%	0.353	S	S	.	.			trans	-113.2	120.5	172.1	-41.3	0	0	0	0	108.6	K155	T125-K155 HydrophobicContact CG2-CD 4.28Å; T125-K155 HydrophobicContact CG2-CG 4.07Å
126	L	39.8	Very low	38.2	Very low	19 Å²	19	66 Å²	66	10%	0.099	36%	0.362	C	S	.	.			trans	-85.6	140.3	175.6	-70	154.2	0	0	0	107.8	P128 R135 F138 Y152	L126-P128 WeakPolarHBondContact O-CD 2.99Å; L126-P128 VanDerWaalsContact O-N 3.16Å; L126-R135 HydrophobicContact CB-CG 4.1Å; L126-R135 HydrophobicContact CD1-CB 3.76Å; L126-R135 HydrophobicContact CD1-CG 3.94Å; L126-R135 WeakPolarHBondContact CD1-O 3.35Å; L126-F138 HydrophobicContact CD1-CB 4.34Å; L126-F138 HydrophobicContact CD2-CB 3.99Å; L126-F138 HydrophobicContact CD2-CD1 3.55Å; L126-F138 HydrophobicContact CD2-CE1 4.01Å; L126-F138 HydrophobicContact CD2-CG 3.79Å; L126-Y152 VanDerWaalsContact CA-OH 3.31Å; L126-Y152 WeakPolarHBondContact CA-OH 3.37Å; L126-Y152 HydrophobicContact CB-CE2 4.38Å; L126-Y152 WeakPolarHBondContact CB-OH 3.31Å; L126-Y152 HydrophobicContact CD1-CE2 3.54Å; L126-Y152 VanDerWaalsContact CD1-OH 3.32Å; L126-Y152 WeakPolarHBondContact CD1-OH 3.4Å; L126-Y152 HydrophobicContact CG-CE2 3.69Å; L126-Y152 WeakPolarHBondContact CG-OH 3.5Å; L126-Y152 PolarHBondContact N-OH 3.09Å
127	N	37.6	Very low	38.2	Very low	95 Å²	95	68.8 Å²	68.8	51%	0.508	38%	0.377	S	S	.	.			trans	-56.8	122.7	175.4	-172.5	-29.8	0	0	0	109	R129 C130	N127-R129 PolarHBondContact O-N 3.37Å; N127-R129 WeakPolarHBondContact OD1-CB 3.18Å; N127-R129 PolarHBondContact OD1-N 3.06Å; N127-C130 WeakPolarHBondContact O-CB 3.44Å; N127-C130 PolarHBondContact O-N 3.5Å
128	P	39.5	Very low	38.4	Very low	101 Å²	101	70 Å²	70	66%	0.656	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.5	-177.1	23.1	-33.1	0	0	0	113.1	L126 C130 R135	L126-P128 WeakPolarHBondContact O-CD 2.99Å; L126-P128 VanDerWaalsContact O-N 3.16Å; P128-C130 VanDerWaalsContact C-N 3.26Å; P128-C130 PolarHBondContact O-N 3.44Å; P128-R135 PolarHBondContact O-NH2 3.35Å
129	R	38.2	Very low	38.6	Very low	230 Å²	230	64.3 Å²	64.3	87%	0.868	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.3	173.7	-61.3	-174	179.9	-180	0.1	113.6	N127	N127-R129 PolarHBondContact O-N 3.37Å; N127-R129 WeakPolarHBondContact OD1-CB 3.18Å; N127-R129 PolarHBondContact OD1-N 3.06Å
130	C	38	Very low	38.7	Very low	19 Å²	19	65.2 Å²	65.2	13%	0.128	36%	0.361	C	S	.	.	S	Bend	trans	-67	132.4	171.8	-76.5	0	0	0	0	110.1	C40 N127 P128 K132 R135	C40-C130 VanDerWaalsContact SG-SG 3.68Å; N127-C130 WeakPolarHBondContact O-CB 3.44Å; N127-C130 PolarHBondContact O-N 3.5Å; P128-C130 VanDerWaalsContact C-N 3.26Å; P128-C130 PolarHBondContact O-N 3.44Å; C130-K132 PolarHBondContact O-N 3.11Å; C130-R135 HydrophobicContact CB-CG 3.86Å; C130-R135 PolarHBondContact O-NE 3.1Å; C130-R135 PolarHBondContact O-NH2 2.81Å
131	P	37.6	Very low	38.8	Very low	70 Å²	70	62.2 Å²	62.2	46%	0.455	35%	0.349	S	S	.	.			trans	-48.4	139.7	171.1	-26.3	30.1	0	0	0	111.9	G133 I134 R135	P131-G133 VanDerWaalsContact C-N 3.29Å; P131-G133 PolarHBondContact O-N 3.47Å; P131-I134 HydrophobicContact CB-CD1 4.04Å; P131-I134 HydrophobicContact CB-CG1 4.12Å; P131-I134 HydrophobicContact CG-CD1 3.79Å; P131-I134 HydrophobicContact CG-CG1 4.42Å; P131-I134 PolarHBondContact O-N 3.29Å; P131-I134 VanDerWaalsContact O-N 3.1Å; P131-R135 PolarHBondContact O-N 3.28Å
132	K	42.4	Very low	39.1	Very low	141 Å²	141	58.7 Å²	58.7	61%	0.613	31%	0.31	S	S	*	.	H	α-helix	trans	-53.7	-42.5	-172.8	-120.3	-177.7	179.6	-176.9	0	112.5	C130 I134 R135 Y136	C130-K132 PolarHBondContact O-N 3.11Å; K132-I134 PolarHBondContact O-N 2.9Å; K132-R135 WeakPolarHBondContact O-CB 3.31Å; K132-R135 PolarHBondContact O-N 3.13Å; K132-Y136 HydrophobicContact CG-CE2 4.47Å; K132-Y136 WeakPolarHBondContact O-CD2 3.48Å; K132-Y136 PolarHBondContact O-N 2.78Å
133	G	36.7	Very low	39.3	Very low	34 Å²	34	59.6 Å²	59.6	35%	0.351	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-43.5	178.2	0	0	0	0	0	113.5	P131 R135 Y136 D137	P131-G133 VanDerWaalsContact C-N 3.29Å; P131-G133 PolarHBondContact O-N 3.47Å; G133-R135 PolarHBondContact O-N 1.98Å; G133-Y136 PolarHBondContact O-N 2.82Å; G133-Y136 VanDerWaalsContact O-N 3.14Å; G133-D137 PolarHBondContact O-N 3.48Å
134	I	38.2	Very low	39.4	Very low	10 Å²	10	61.1 Å²	61.1	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-34.6	179.7	-56	-176.3	0	0	0	111.1	H36 G39 P131 K132 Y136 D137 F138	H36-I134 WeakPolarHBondContact O-CD1 3.27Å; H36-I134 WeakPolarHBondContact O-CG1 3.39Å; G39-I134 VanDerWaalsContact CA-CD1 3.5Å; P131-I134 HydrophobicContact CB-CD1 4.04Å; P131-I134 HydrophobicContact CB-CG1 4.12Å; P131-I134 HydrophobicContact CG-CD1 3.79Å; P131-I134 HydrophobicContact CG-CG1 4.42Å; P131-I134 PolarHBondContact O-N 3.29Å; P131-I134 VanDerWaalsContact O-N 3.1Å; K132-I134 PolarHBondContact O-N 2.9Å; I134-Y136 VanDerWaalsContact C-N 3.29Å; I134-Y136 PolarHBondContact O-N 3.44Å; I134-D137 PolarHBondContact O-N 3.16Å; I134-F138 VanDerWaalsContact O-CB 3.26Å; I134-F138 WeakPolarHBondContact O-CB 3.25Å; I134-F138 PolarHBondContact O-N 3Å
135	R	40.5	Very low	39.4	Very low	70 Å²	70	62.6 Å²	62.6	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-35.6	178.8	-69.7	-177.6	-102.6	176	-13.4	112.3	L126 P128 C130 P131 K132 G133 A139	L126-R135 HydrophobicContact CB-CG 4.1Å; L126-R135 HydrophobicContact CD1-CB 3.76Å; L126-R135 HydrophobicContact CD1-CG 3.94Å; L126-R135 WeakPolarHBondContact CD1-O 3.35Å; P128-R135 PolarHBondContact O-NH2 3.35Å; C130-R135 HydrophobicContact CB-CG 3.86Å; C130-R135 PolarHBondContact O-NE 3.1Å; C130-R135 PolarHBondContact O-NH2 2.81Å; P131-R135 PolarHBondContact O-N 3.28Å; K132-R135 WeakPolarHBondContact O-CB 3.31Å; K132-R135 PolarHBondContact O-N 3.13Å; G133-R135 PolarHBondContact O-N 1.98Å; R135-A139 WeakPolarHBondContact O-CB 3.42Å; R135-A139 PolarHBondContact O-N 3.43Å; R135-A139 VanDerWaalsContact O-N 3.11Å
136	Y	40.4	Very low	39.3	Very low	94 Å²	94	61.4 Å²	61.4	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-69	-45.9	175.9	-68.2	-70.7	0	0	0	111.3	K132 G133 I134 F138 A139 A140 M160 M162	K132-Y136 HydrophobicContact CG-CE2 4.47Å; K132-Y136 WeakPolarHBondContact O-CD2 3.48Å; K132-Y136 PolarHBondContact O-N 2.78Å; G133-Y136 PolarHBondContact O-N 2.82Å; G133-Y136 VanDerWaalsContact O-N 3.14Å; I134-Y136 VanDerWaalsContact C-N 3.29Å; I134-Y136 PolarHBondContact O-N 3.44Å; Y136-F138 VanDerWaalsContact C-N 3.33Å; Y136-F138 PolarHBondContact O-N 3.01Å; Y136-A139 PolarHBondContact O-N 3.29Å; Y136-A140 WeakPolarHBondContact O-CB 3.38Å; Y136-A140 PolarHBondContact O-N 3.32Å; Y136-M160 HydrophobicContact CD1-CE 3.74Å; Y136-M160 HydrophobicContact CE1-CE 3.31Å; Y136-M160 HydrophobicContact CE1-SD 3.66Å; Y136-M162 HydrophobicContact CD1-CG 4.12Å; Y136-M162 HydrophobicContact CD1-SD 3.73Å
137	D	39.7	Very low	38.9	Very low	64 Å²	64	66.3 Å²	66.3	34%	0.342	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-36.7	178.6	-61.7	-30.2	0	0	0	112.2	G133 I134 A140 C141	G133-D137 PolarHBondContact O-N 3.48Å; I134-D137 PolarHBondContact O-N 3.16Å; D137-A140 PolarHBondContact O-N 2.91Å; D137-C141 VanDerWaalsContact O-CB 3.27Å; D137-C141 WeakPolarHBondContact O-CB 3.48Å; D137-C141 PolarHBondContact O-N 3.39Å
138	F	43.4	Very low	38.8	Very low	36 Å²	36	67.1 Å²	67.1	16%	0.158	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-40.2	177.2	-144.5	-85.5	0	0	0	111.8	L88 L126 I134 Y136 C141 I142	L88-F138 HydrophobicContact CD1-CE1 3.68Å; L88-F138 HydrophobicContact CD1-CE2 4.44Å; L88-F138 HydrophobicContact CD1-CZ 3.49Å; L88-F138 VanDerWaalsContact CD1-CZ 3.49Å; L88-F138 HydrophobicContact CD2-CE1 4.19Å; L88-F138 HydrophobicContact CD2-CE2 3.39Å; L88-F138 HydrophobicContact CD2-CZ 3.21Å; L88-F138 HydrophobicContact CG-CE2 4.48Å; L88-F138 HydrophobicContact CG-CZ 3.86Å; L126-F138 HydrophobicContact CD1-CB 4.34Å; L126-F138 HydrophobicContact CD2-CB 3.99Å; L126-F138 HydrophobicContact CD2-CD1 3.55Å; L126-F138 HydrophobicContact CD2-CE1 4.01Å; L126-F138 HydrophobicContact CD2-CG 3.79Å; I134-F138 VanDerWaalsContact O-CB 3.26Å; I134-F138 WeakPolarHBondContact O-CB 3.25Å; I134-F138 PolarHBondContact O-N 3Å; Y136-F138 VanDerWaalsContact C-N 3.33Å; Y136-F138 PolarHBondContact O-N 3.01Å; F138-C141 PolarHBondContact O-N 3.15Å; F138-I142 HydrophobicContact CD1-CD1 3.71Å; F138-I142 HydrophobicContact CD1-CG1 4.27Å; F138-I142 HydrophobicContact CE1-CD1 3.94Å; F138-I142 WeakPolarHBondContact O-CG1 3.42Å; F138-I142 PolarHBondContact O-N 3.42Å
139	A	43.4	Very low	38.7	Very low	4 Å²	4	66.6 Å²	66.6	3%	0.033	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-39.4	175.5	0	0	0	0	0	111.1	R135 Y136 C141 I142 I143 M162	R135-A139 WeakPolarHBondContact O-CB 3.42Å; R135-A139 PolarHBondContact O-N 3.43Å; R135-A139 VanDerWaalsContact O-N 3.11Å; Y136-A139 PolarHBondContact O-N 3.29Å; A139-C141 PolarHBondContact O-N 3.29Å; A139-I142 PolarHBondContact O-N 3.02Å; A139-I143 WeakPolarHBondContact O-CB 3.29Å; A139-I143 VanDerWaalsContact O-CD1 3.31Å; A139-I143 WeakPolarHBondContact O-CD1 3Å; A139-I143 WeakPolarHBondContact O-CG1 3.18Å; A139-I143 PolarHBondContact O-N 3.11Å; A139-M162 HydrophobicContact CB-CE 3.25Å; A139-M162 HydrophobicContact CB-SD 4Å
140	A	40.3	Very low	38.6	Very low	41 Å²	41	56 Å²	56	34%	0.339	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-41.3	173.4	0	0	0	0	0	112.1	Y136 D137 I143 Q144	Y136-A140 WeakPolarHBondContact O-CB 3.38Å; Y136-A140 PolarHBondContact O-N 3.32Å; D137-A140 PolarHBondContact O-N 2.91Å; A140-I143 PolarHBondContact O-N 3.11Å; A140-Q144 PolarHBondContact O-N 2.83Å
141	C	40.4	Very low	38.4	Very low	48 Å²	48	57.3 Å²	57.3	32%	0.324	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-41.9	177.4	-166.6	0	0	0	0	112.2	D137 F138 A139 M145	D137-C141 VanDerWaalsContact O-CB 3.27Å; D137-C141 WeakPolarHBondContact O-CB 3.48Å; D137-C141 PolarHBondContact O-N 3.39Å; F138-C141 PolarHBondContact O-N 3.15Å; A139-C141 PolarHBondContact O-N 3.29Å; C141-M145 WeakPolarHBondContact O-CB 2.86Å; C141-M145 WeakPolarHBondContact O-CG 3.17Å
142	I	40.4	Very low	38.2	Very low	9 Å²	9	56 Å²	56	5%	0.046	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-39.7	174.8	-69	173.9	0	0	0	111	F117 F124 F138 A139 C150	F117-I142 HydrophobicContact CE1-CG1 4.42Å; F117-I142 HydrophobicContact CE2-CG1 4.43Å; F117-I142 HydrophobicContact CZ-CG1 4.15Å; F124-I142 HydrophobicContact CD1-CD1 4.19Å; F124-I142 HydrophobicContact CD2-CG2 4.3Å; F124-I142 HydrophobicContact CE2-CG2 4.16Å; F124-I142 HydrophobicContact CG-CD1 4.32Å; F124-I142 HydrophobicContact CZ-CG2 4.39Å; F138-I142 HydrophobicContact CD1-CD1 3.71Å; F138-I142 HydrophobicContact CD1-CG1 4.27Å; F138-I142 HydrophobicContact CE1-CD1 3.94Å; F138-I142 WeakPolarHBondContact O-CG1 3.42Å; F138-I142 PolarHBondContact O-N 3.42Å; A139-I142 PolarHBondContact O-N 3.02Å; I142-C150 HydrophobicContact CG2-CB 3.97Å
143	I	38.6	Very low	37.7	Very low	45 Å²	45	53.9 Å²	53.9	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-69	-34.6	-178.9	-70.8	165	0	0	0	112.5	A139 A140 T149 M162	A139-I143 WeakPolarHBondContact O-CB 3.29Å; A139-I143 VanDerWaalsContact O-CD1 3.31Å; A139-I143 WeakPolarHBondContact O-CD1 3Å; A139-I143 WeakPolarHBondContact O-CG1 3.18Å; A139-I143 PolarHBondContact O-N 3.11Å; A140-I143 PolarHBondContact O-N 3.11Å; I143-T149 HydrophobicContact CG2-CG2 3.94Å; I143-M162 HydrophobicContact CD1-CE 3.48Å; I143-M162 VanDerWaalsContact CD1-CE 3.48Å
144	Q	38.7	Very low	37.4	Very low	101 Å²	101	53.3 Å²	53.3	47%	0.472	29%	0.285	S	S	.	.	H	α-helix	trans	-81.3	-14.1	-178.1	-91.3	-177.5	-13.5	0	0	114.9	A140	A140-Q144 PolarHBondContact O-N 2.83Å
145	M	36.6	Very low	37	Very low	39 Å²	39	61.8 Å²	61.8	19%	0.192	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	9.2	-167.4	-67.1	-114.6	-100.6	0	0	114.8	L92 L116 F117 C141	L92-M145 HydrophobicContact CD2-CE 3.65Å; L116-M145 HydrophobicContact CB-CB 4.16Å; L116-M145 HydrophobicContact CD1-CB 4.09Å; L116-M145 HydrophobicContact CD1-CE 3.3Å; L116-M145 HydrophobicContact CD1-CG 4.26Å; L116-M145 HydrophobicContact CD1-SD 3.26Å; L116-M145 WeakPolarHBondContact CD1-SD 3.16Å; L116-M145 PolarHBondContact N-O 3.47Å; F117-M145 HydrophobicContact CD2-CB 4.35Å; C141-M145 WeakPolarHBondContact O-CB 2.86Å; C141-M145 WeakPolarHBondContact O-CG 3.17Å
146	G	34.4	Very low	36.7	Very low	19 Å²	19	63.5 Å²	63.5	20%	0.196	34%	0.34	C	S	.	.	S	Bend	trans	-130	158.3	171.3	0	0	0	0	0	111.8	K148	G146-K148 PolarHBondContact O-N 3.08Å; G146-K148 VanDerWaalsContact O-N 3.13Å
147	P	32.9	Very low	35.9	Very low	122 Å²	122	61.9 Å²	61.9	79%	0.792	35%	0.352	S	S	*	.	S	Bend	trans	-67	-7	174.7	28.1	-34.3	0	0	0	113.3
148	K	34.4	Very low	35.2	Very low	112 Å²	112	64.9 Å²	64.9	49%	0.487	37%	0.365	S	S	.	.	S	Bend	trans	-128.4	138	-178.7	-68.2	177.6	176.8	175.5	0	110.3	D120 G146 C150	D120-K148 IonicContact OD1-NZ 2.76Å; D120-K148 PolarHBondContact OD1-NZ 3.39Å; D120-K148 IonicContact OD2-NZ 2.76Å; D120-K148 PolarHBondContact OD2-NZ 3.02Å; G146-K148 PolarHBondContact O-N 3.08Å; G146-K148 VanDerWaalsContact O-N 3.13Å; K148-C150 PolarHBondContact O-N 3.12Å
149	T	37.8	Very low	34.6	Very low	90 Å²	90	67.9 Å²	67.9	55%	0.552	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-64.7	116.9	173.8	-44	0	0	0	0	110.1	I143	I143-T149 HydrophobicContact CG2-CG2 3.94Å
150	C	35.7	Very low	33.8	Very low	7 Å²	7	71 Å²	71	5%	0.047	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-83.9	126.9	179.2	-40.4	0	0	0	0	110.2	C119 F124 I142 K148	C119-C150 HydrophobicContact CB-CB 3.76Å; C119-C150 WeakPolarHBondContact CB-SG 3.49Å; C119-C150 WeakPolarHBondContact SG-CB 3.36Å; C119-C150 CovalentContact SG-SG 2.01Å; C119-C150 PolarHBondContact SG-SG 3.33Å; F124-C150 HydrophobicContact CE2-CB 4.17Å; I142-C150 HydrophobicContact CG2-CB 3.97Å; K148-C150 PolarHBondContact O-N 3.12Å
151	C	34.6	Very low	33	Very low	48 Å²	48	77.6 Å²	77.6	32%	0.324	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-78.9	133.3	176.5	-91.5	0	0	0	0	112.9	C9	C9-C151 WeakPolarHBondContact CA-SG 3.44Å; C9-C151 HydrophobicContact CB-CB 4.36Å; C9-C151 WeakPolarHBondContact CB-SG 3.3Å; C9-C151 WeakPolarHBondContact SG-CB 3.45Å; C9-C151 CovalentContact SG-SG 1.98Å; C9-C151 PolarHBondContact SG-SG 2.9Å
152	Y	33.2	Very low	32.4	Very low	43 Å²	43	78.2 Å²	78.2	17%	0.169	43%	0.426	C	S	.	.			trans	-104.7	117.4	173.7	-165.3	-85.2	0	0	0	109.8	F124 L126	F124-Y152 HydrophobicContact CB-CD2 4.12Å; F124-Y152 HydrophobicContact CB-CE2 4.17Å; F124-Y152 WeakPolarHBondContact O-CD2 3.39Å; F124-Y152 WeakPolarHBondContact O-CE2 3.45Å; L126-Y152 VanDerWaalsContact CA-OH 3.31Å; L126-Y152 WeakPolarHBondContact CA-OH 3.37Å; L126-Y152 HydrophobicContact CB-CE2 4.38Å; L126-Y152 WeakPolarHBondContact CB-OH 3.31Å; L126-Y152 HydrophobicContact CD1-CE2 3.54Å; L126-Y152 VanDerWaalsContact CD1-OH 3.32Å; L126-Y152 WeakPolarHBondContact CD1-OH 3.4Å; L126-Y152 HydrophobicContact CG-CE2 3.69Å; L126-Y152 WeakPolarHBondContact CG-OH 3.5Å; L126-Y152 PolarHBondContact N-OH 3.09Å
153	Q	31	Very low	31.5	Very low	96 Å²	96	85.2 Å²	85.2	45%	0.449	46%	0.464	S	S	.	.			trans	-116	111.9	174.9	-152	175.6	13.3	0	0	108.5	T123	T123-Q153 HydrophobicContact CG2-CB 4.4Å
154	S	31.1	Very low	30.8	Very low	22 Å²	22	88 Å²	88	15%	0.154	48%	0.479	C	S	.	.			trans	-71.4	142.3	178.1	76.9	0	0	0	0	110.3	T156 G157 M158	S154-T156 PolarHBondContact O-N 3.06Å; S154-T156 PolarHBondContact OG-OG1 2.77Å; S154-G157 PolarHBondContact O-N 3.17Å; S154-M158 PolarHBondContact OG-N 2.76Å; S154-M158 PolarHBondContact OG-O 3.39Å
155	K	29.5	Very low	30.1	Very low	188 Å²	188	88.9 Å²	88.9	82%	0.817	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-14.3	174.3	-88.1	-172.1	175.4	-176.1	0	113.9	T125 G157	T125-K155 HydrophobicContact CG2-CD 4.28Å; T125-K155 HydrophobicContact CG2-CG 4.07Å; K155-G157 VanDerWaalsContact C-N 3.35Å
156	T	34.3	Very low	29.4	Very low	106 Å²	106	94.8 Å²	94.8	65%	0.65	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	2.3	175.7	42.8	0	0	0	0	114.4	S154 M158	S154-T156 PolarHBondContact O-N 3.06Å; S154-T156 PolarHBondContact OG-OG1 2.77Å; T156-M158 PolarHBondContact O-N 3.3Å
157	G	24.3	Very low	28.8	Very low	60 Å²	60	101.2 Å²	101.2	62%	0.619	55%	0.546	S	S	*	.	S	Bend	trans	73.5	2.5	-178.4	0	0	0	0	0	114.4	S154 K155 T159	S154-G157 PolarHBondContact O-N 3.17Å; K155-G157 VanDerWaalsContact C-N 3.35Å; G157-T159 PolarHBondContact O-N 3.11Å
158	M	25	Very low	28.3	Very low	126 Å²	126	109.3 Å²	109.3	62%	0.621	56%	0.563	S	S	*	*			trans	-84.7	109.2	171.6	-73.1	-171.6	-73.6	0	0	109.7	S154 T156 M160	S154-M158 PolarHBondContact OG-N 2.76Å; S154-M158 PolarHBondContact OG-O 3.39Å; T156-M158 PolarHBondContact O-N 3.3Å; M158-M160 PolarHBondContact O-N 3.42Å
159	T	29.6	Very low	28	Very low	100 Å²	100	109.2 Å²	109.2	61%	0.613	57%	0.567	S	S	*	*			trans	-70.6	110.1	161.8	-50.8	0	0	0	0	107.3	G157 M161	G157-T159 PolarHBondContact O-N 3.11Å; T159-M161 PolarHBondContact O-N 2.96Å
160	M	26.9	Very low	27.5	Very low	70 Å²	70	110.2 Å²	110.2	35%	0.345	57%	0.567	S	S	.	*			trans	-85	106.3	170.5	-63.5	-165.6	-34.9	0	0	107.9	Y136 M158 M162	Y136-M160 HydrophobicContact CD1-CE 3.74Å; Y136-M160 HydrophobicContact CE1-CE 3.31Å; Y136-M160 HydrophobicContact CE1-SD 3.66Å; M158-M160 PolarHBondContact O-N 3.42Å; M160-M162 PolarHBondContact O-N 2.76Å
161	M	23.4	Very low	27	Very low	178 Å²	178	115.9 Å²	115.9	88%	0.877	60%	0.596	S	S	*	*			trans	-66.8	115.8	157.6	-73.2	-169.7	-145	0	0	106.7	T159	T159-M161 PolarHBondContact O-N 2.96Å
162	M	27.6	Very low	26.6	Very low	61 Å²	61	119.9 Å²	119.9	30%	0.3	61%	0.612	S	S	.	*			trans	-87.6	113.1	167.6	-70.3	-161.8	-72	0	0	107.7	Y136 A139 I143 M160 L164	Y136-M162 HydrophobicContact CD1-CG 4.12Å; Y136-M162 HydrophobicContact CD1-SD 3.73Å; A139-M162 HydrophobicContact CB-CE 3.25Å; A139-M162 HydrophobicContact CB-SD 4Å; I143-M162 HydrophobicContact CD1-CE 3.48Å; I143-M162 VanDerWaalsContact CD1-CE 3.48Å; M160-M162 PolarHBondContact O-N 2.76Å; M162-L164 PolarHBondContact O-N 2.85Å; M162-L164 VanDerWaalsContact O-N 3.1Å
163	D	22.4	Very low	26.2	Very low	157 Å²	157	124.8 Å²	124.8	84%	0.84	64%	0.64	S	S	*	*			trans	-59	109.4	158	-96.3	-41.8	0	0	0	107.2	V165	D163-V165 PolarHBondContact O-N 3.46Å
164	L	24.5	Very low	25.9	Very low	103 Å²	103	126.7 Å²	126.7	54%	0.539	65%	0.653	S	S	.	*			trans	-59.9	105.8	168.3	-93.6	148.4	0	0	0	107.3	L15 M162 H166	L15-L164 HydrophobicContact CD1-CD2 4.2Å; M162-L164 PolarHBondContact O-N 2.85Å; M162-L164 VanDerWaalsContact O-N 3.1Å; L164-H166 PolarHBondContact O-N 3.39Å
165	V	23	Very low	25.5	Very low	119 Å²	119	134.1 Å²	134.1	72%	0.721	69%	0.688	S	S	*	*			trans	-62.8	108.9	171	176.3	0	0	0	0	107.3	D163 I167	D163-V165 PolarHBondContact O-N 3.46Å; V165-I167 HydrophobicContact CG1-CG1 3.99Å; V165-I167 PolarHBondContact O-N 3.35Å
166	H	21.4	Very low	25.2	Very low	164 Å²	164	130 Å²	130	76%	0.759	68%	0.678	S	S	*	*			trans	-60.1	113.6	161.9	-79.2	137.3	0	0	0	108.1	L164	L164-H166 PolarHBondContact O-N 3.39Å
167	I	22.1	Very low	24.4	Very low	153 Å²	153	132 Å²	132	79%	0.785	68%	0.681	S	S	*	*			trans	-104.4	117.1	160	-54.3	-179.4	0	0	0	104.9	V165	V165-I167 HydrophobicContact CG1-CG1 3.99Å; V165-I167 PolarHBondContact O-N 3.35Å
168	Y	23	Very low	24.4	Very low	293 Å²	293	138.5 Å²	138.5	100%	1.149	69%	0.686	S	S	*	*			trans	-54.1	0	-178.3	-75.6	-88.1	0	0	0	112.9

Retrieved 168 of 168 residues in 300.7 ms (Link to these results)

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